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Oxoasimilobine

View entire compound with spectra: 2 MS (GC)

Oxoasimilobine
SpectraBase Compound ID HAn7fXD73Bh
InChI InChI=1S/C17H11NO3/c1-21-17-12(19)8-9-6-7-18-15-13(9)14(17)10-4-2-3-5-11(10)16(15)20/h2-8,19H,1H3
InChIKey PKVQZNFAWUGREW-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C17H11NO3
Exact Mass 277.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QOTgaaMe2c
Name Oxoasimilobine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11NO3
InChI InChI=1S/C17H11NO3/c1-21-17-12(19)8-9-6-7-18-15-13(9)14(17)10-4-2-3-5-11(10)16(15)20/h2-8,19H,1H3
InChIKey PKVQZNFAWUGREW-UHFFFAOYSA-N
Molecular Weight 277.279 g/mol
SMILES Oc1c(c-2c3c(nccc3c1)C(c1c2cccc1)=O)OC
SPLASH splash10-004i-0290000000-6336fcb0fd25d0b46287
Source of Spectrum X2-57-1081-580
Synonyms 7-Oxo-dehydroasimilobine
Wiley ID 1605583