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Thebaine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Thebaine
SpectraBase Compound ID IdASuqDIhre
InChI InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18?,19+/m0/s1
InChIKey FQXXSQDCDRQNQE-LPHKOSDUSA-N
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJwstgbAmkx
Name Thebaine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO3
InChI InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18?,19+/m0/s1
InChIKey FQXXSQDCDRQNQE-LPHKOSDUSA-N
Ionization Type EI-B
Molecular Weight 311.381 g/mol
SMILES COc1ccc2c3c1OC1[C@@]33CCN([C@](C3=CC=C1OC)(C2)[H])C
SPLASH splash10-03dl-3593000000-fafa20a090a7dfd9fb79
Source of Spectrum SRH-2022-2812-0
Wiley ID 1825158