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2-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid
SpectraBase Compound ID F46vNOkJowK
InChI InChI=1S/C17H12ClFN2O3/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15(22)21(14)9-16(23)24/h1-7H,8-9H2,(H,23,24)
InChIKey RHAHLZSKPHXZAD-UHFFFAOYSA-N
Mol Weight 346.75 g/mol
Molecular Formula C17H12ClFN2O3
Exact Mass 346.052048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIDKTcn1Y6O
Name 2-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid
CAS Registry Number 29487-10-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClFN2O3
InChI InChI=1S/C17H12ClFN2O3/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15(22)21(14)9-16(23)24/h1-7H,8-9H2,(H,23,24)
InChIKey RHAHLZSKPHXZAD-UHFFFAOYSA-N
Molecular Weight 346.745 g/mol
SMILES OC(CN1c2c(C(c3c(F)cccc3)=NCC1=O)cc(cc2)Cl)=O
SPLASH splash10-05mk-1239000000-c97dad3dcc74e859f828
Source of Spectrum KO-4-252-7
Synonyms 2-[7-chloro-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid 2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Wiley ID 1339054