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Thebaine

View entire compound with spectra: 10 NMR, 3 FTIR, 1 Raman, and 9 MS (GC)

Thebaine
SpectraBase Compound ID Cdxzh4df9we
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+/m1/s1
InChIKey FQXXSQDCDRQNQE-VMDGZTHMSA-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 62LfENzuq
Name Thebaine
Catalog Number 14043
CAS Registry Number 115-37-7
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+/m1/s1
InChIKey FQXXSQDCDRQNQE-VMDGZTHMSA-N
Molecular Weight 311.381 g/mol
SMILES C=1([C@]2([C@]34c5c(O2)c(ccc5C[C@](C3=CC1)(N(CC4)C)[H])OC)[H])OC
SPLASH splash10-03dj-2593000000-7d17579d51feae63944f
Source of Spectrum CAY-2023-742-0
Wiley ID 1888701