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1,2-Didehydrocrinan-3,6-diol
SpectraBase Compound ID 4748RdcZlc5
InChI InChI=1S/C16H17NO4/c18-9-1-2-16-3-4-17(14(16)5-9)15(19)10-6-12-13(7-11(10)16)21-8-20-12/h1-2,6-7,9,14-15,18-19H,3-5,8H2
InChIKey ILMBZGCGIXQNFZ-UHFFFAOYSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1Q7wUhgYSG
Name 1,2-Didehydrocrinan-3,6-diol
Alternate Name(s) Crinine, 6.alpha.-hydroxy-
CAS Registry Number 80665-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c18-9-1-2-16-3-4-17(14(16)5-9)15(19)10-6-12-13(7-11(10)16)21-8-20-12/h1-2,6-7,9,14-15,18-19H,3-5,8H2
InChIKey ILMBZGCGIXQNFZ-UHFFFAOYSA-N
Molecular Weight 287.315 g/mol
SMILES OC1CC2N3CCC2(c2cc4c(cc2C3O)OCO4)C=C1
SPLASH splash10-000i-0290000000-ff0fdcc39d368c907ddc
Source of Spectrum W5-1989-12397-1
Wiley ID 1290809