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11H-dibenzo[b,e]azepine-8-carboxylic Acid Methyl Ester
SpectraBase Compound ID ACCo2op4p8g
InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-6-11-8-12-4-2-3-5-15(12)17-10-14(11)9-13/h2-7,9-10H,8H2,1H3
InChIKey ICOQJKBDQZBIAX-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 1NbaJTDFRud
Name 11H-dibenzo[b,e]azepine-8-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)13-7-6-11-8-12-4-2-3-5-15(12)17-10-14(11)9-13/h2-7,9-10H,8H2,1H3
InChIKey ICOQJKBDQZBIAX-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)cc(cc1)C(=O)OC
SPLASH splash10-0udi-0490000000-67ed2e2cc20086334428
Source of Spectrum AF-53-7018-24
Wiley ID 1846268