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11H-Dibenzo[b,e]- azepine-10-carboxylic Acid Methyl Ester
SpectraBase Compound ID EgptvKATJwJ
InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-6-12-10-17-15-8-3-2-5-11(15)9-14(12)13/h2-8,10H,9H2,1H3
InChIKey RNCCOSMXJQOWRS-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhbN1WwIFK4
Name 11H-Dibenzo[b,e]- azepine-10-carboxylic Acid Methyl Ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-6-12-10-17-15-8-3-2-5-11(15)9-14(12)13/h2-8,10H,9H2,1H3
InChIKey RNCCOSMXJQOWRS-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973N
Ionization Type EI positive ion
Literature Reference DOI 10.1021/jm100477n
Molecular Weight 251.285 g/mol
Reported Formula C16H13NO2
SMILES c1cc2c(cc1)Cc1c(C=N2)cccc1C(OC)=O
SPLASH splash10-0f76-0590000000-25f0172a8a8176e29a2a
Source of Spectrum AF-53-7018-6
Wiley ID 1846270