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N-[3-Chloro-4-(5H-pyrrolo[1,2-c][1.3]benzodiazepin-6-(11H)-ylcarbonyl)phenyl]-5-fluoro-2-methylbenzamide
SpectraBase Compound ID LtipXBRz4hw
InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)14-23(17)26(33)30-20-10-11-22(24(28)15-20)27(34)32-16-31-12-4-6-21(31)13-18-5-2-3-7-25(18)32/h2-12,14-15H,13,16H2,1H3,(H,30,33)
InChIKey UFYWJBLGIOVRJU-UHFFFAOYSA-N
Mol Weight 473.94 g/mol
Molecular Formula C27H21ClFN3O2
Exact Mass 473.130633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxSc0jxgscZ
Name N-[3-Chloro-4-(5H-pyrrolo[1,2-c][1.3]benzodiazepin-6-(11H)-ylcarbonyl)phenyl]-5-fluoro-2-methylbenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21ClFN3O2
InChI InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)14-23(17)26(33)30-20-10-11-22(24(28)15-20)27(34)32-16-31-12-4-6-21(31)13-18-5-2-3-7-25(18)32/h2-12,14-15H,13,16H2,1H3,(H,30,33)
InChIKey UFYWJBLGIOVRJU-UHFFFAOYSA-N
Molecular Weight 473.935 g/mol
SMILES N(C(c1c(ccc(c1)F)C)=O)c1ccc(C(N2C[n]3c(ccc3)Cc3c2cccc3)=O)c(c1)Cl
SPLASH splash10-007x-0940500000-2e6ef6a24410b3041f88
Source of Spectrum F-67-7809-1
Wiley ID 1687657