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11.beta.-dihydro-thebainone
SpectraBase Compound ID 2vybQSnOiN0
InChI InChI=1S/C18H23NO3/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/h4-6,11,13-14,21H,3,7-10H2,1-2H3/t11-,13+,14-,18+/m1/s1
InChIKey ZJTUTFMXHFRGBQ-KEIZMWOVSA-N
Mol Weight 301.39 g/mol
Molecular Formula C18H23NO3
Exact Mass 301.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JiE7q79QvgK
Name 11.beta.-dihydro-thebainone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO3
InChI InChI=1S/C18H23NO3/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/h4-6,11,13-14,21H,3,7-10H2,1-2H3/t11-,13+,14-,18+/m1/s1
InChIKey ZJTUTFMXHFRGBQ-KEIZMWOVSA-N
Ionization Type EI
Molecular Weight 301.386 g/mol
Reported Formula C18H23NO3
SMILES OC=1C(=CC[C@]2(C1[C@@]13CC(C=C[C@]1([C@@](C2)(N(CC3)C)[H])[H])=O)[H])OC
SPLASH splash10-001i-9001000000-897f6253e4793937e407
Source of Spectrum EP2173754A1
Wiley ID 1841813