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Lorazepam 2TFA
SpectraBase Compound ID 6AgIo667EkC
InChI InChI=1S/C19H8Cl2F6N2O4/c20-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)21)28-14(33-17(32)19(25,26)27)15(30)29(12)16(31)18(22,23)24/h1-7,14H
InChIKey KNZAWLJZYWAMNE-UHFFFAOYSA-N
Mol Weight 513.18 g/mol
Molecular Formula C19H8Cl2F6N2O4
Exact Mass 511.976531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73VLVMoRPgH
Name Lorazepam 2TFA
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 511.976531120 u
Formula C19H8Cl2F6N2O4
InChI InChI=1S/C19H8Cl2F6N2O4/c20-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)21)28-14(33-17(32)19(25,26)27)15(30)29(12)16(31)18(22,23)24/h1-7,14H
InChIKey KNZAWLJZYWAMNE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 513.179 g/mol
Nominal Mass 512 u
Quality 997
Retention Index 3732
SMILES C=12N(C(C(N=C(C2=CC(=CC1)Cl)C1=C(C=CC=C1)Cl)OC(C(F)(F)F)=O)=O)C(C(F)(F)F)=O
SPLASH splash10-024i-2595110000-3d0fb313fee71fe43eb4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 7-chloro-5-(2-chlorophenyl)-2-oxo-1-(trifluoroacetyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_011916