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Thebainone-A
SpectraBase Compound ID 7xc05LFyx28
InChI InChI=1S/C18H21NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3-6,13-14,21H,7-10H2,1-2H3/t13-,14+,18-/m0/s1
InChIKey SLJDAVMWFVYEFI-IYOUNJFTSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bEPVg95sW
Name 7,8-Didehydro-4-hydroxy-3-methoxy-17-methylmorphinan-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3-6,13-14,21H,7-10H2,1-2H3/t13-,14+,18-/m0/s1
InChIKey SLJDAVMWFVYEFI-IYOUNJFTSA-N
Molecular Weight 299.370 g/mol
SMILES Oc1c2[C@]34[C@]([C@@](Cc2ccc1OC)(N(CC4)C)[H])(C=CC(C3)=O)[H]
SPLASH splash10-01ta-3930000000-7105b1aeb380a2a4fb05
Source of Spectrum AT-1965-2479-0
Wiley ID 852312