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Search term: IYXRQFVHZFEWSY-UHFFFAOYAM
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Inherent Properties, Identifiers and References
ChemSpider ID: 99404
Empirical Formula: C17H21NO4
Molecular Weight: 303.3529
Nominal Mass: 303 Da
Average Mass: 303.3529 Da
Monoisotopic Mass: 303.147058 Da
Systematic Name: 17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrate (1:1)
SMILES: O.OC2\C=C/C5C4N(CCC51c3c(OC12)c(O)ccc3C4)C Copy
InChI: InChI=1/C17H19NO3.H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19​)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H2​ Copy
InChIKey: IYXRQFVHZFEWSY-UHFFFAOYAM
Std. InChI: InChI=1S/C17H19NO3.H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(1​9)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H​2 Copy
Std. InChIKey: IYXRQFVHZFEWSY-UHFFFAOYSA-N
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