For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LARAgBxGzNs
Name Isothebaide
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
Synonyms O-Demethyl-isothebaine
Wiley ID 1585231