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Isothebaide

View entire compound with spectra: 1 MS (GC)

Isothebaide
SpectraBase Compound ID ACNYX7Mgf1g
InChI InChI=1S/C18H19NO3/c1-19-7-6-11-9-14(22-2)18(21)17-15(11)12(19)8-10-4-3-5-13(20)16(10)17/h3-5,9,12,20-21H,6-8H2,1-2H3
InChIKey ZTYQCFCSVKJTSV-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LARAgBxGzNs
Name Isothebaide
Alternate Name(s) O-Demethyl-isothebaine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-19-7-6-11-9-14(22-2)18(21)17-15(11)12(19)8-10-4-3-5-13(20)16(10)17/h3-5,9,12,20-21H,6-8H2,1-2H3
InChIKey ZTYQCFCSVKJTSV-UHFFFAOYSA-N
Molecular Weight 297.354 g/mol
SMILES Oc1cccc2CC3c4c(c(c(cc4CCN3C)OC)O)-c12
SPLASH splash10-0002-0090000000-844b11a44c46019447a8
Source of Spectrum X4-14-402-0
Wiley ID 1585231