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6-(Hydroxycarbonyl)-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium - Trifluoroacetate
SpectraBase Compound ID 8PYdqugTIF8
InChI InChI=1S/C12H12N2O2/c1-7-6-8(2)14-11-9(12(15)16)4-3-5-10(11)13-7/h3-6,14H,1-2H3,(H,15,16)/p+1
InChIKey YWZFUUCDJUBSDO-UHFFFAOYSA-O
Mol Weight 217.25 g/mol
Molecular Formula C12H13N2O2
Exact Mass 217.097703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ash3UZXsi4e
Name 6-(Hydroxycarbonyl)-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium - Trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N2O2
InChI InChI=1S/C12H12N2O2/c1-7-6-8(2)14-11-9(12(15)16)4-3-5-10(11)13-7/h3-6,14H,1-2H3,(H,15,16)/p+1
InChIKey YWZFUUCDJUBSDO-UHFFFAOYSA-O
Molecular Weight 217.248 g/mol
SMILES [NH+]1=C(C=C(C)Nc2c1cccc2C(=O)O)C
SPLASH splash10-014i-3390000000-53e79840bf3491e82556
Source of Spectrum F5-1-4349-22b
Synonyms 6-(Hydroxycarbonyl)-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium-Trifluoroacetate 9-Carboxy-2,4-dimethyl-1H-benzo[b][1,4]diazepin-5-ium
Wiley ID 1731616