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1-dodecyl-7-fluoro-5-(4-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID 1Sb21ioG4Eu
InChI InChI=1S/C27H34F2N2O/c1-2-3-4-5-6-7-8-9-10-11-18-31-25-17-16-23(29)19-24(25)27(30-20-26(31)32)21-12-14-22(28)15-13-21/h12-17,19H,2-11,18,20H2,1H3
InChIKey NXRMWIJDFOTXQW-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H34F2N2O
Exact Mass 440.26392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YZibeUhcWE
Name 1-dodecyl-7-fluoro-5-(4-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.263920048 u
Formula C27H34F2N2O
InChI InChI=1S/C27H34F2N2O/c1-2-3-4-5-6-7-8-9-10-11-18-31-25-17-16-23(29)19-24(25)27(30-20-26(31)32)21-12-14-22(28)15-13-21/h12-17,19H,2-11,18,20H2,1H3
InChIKey NXRMWIJDFOTXQW-UHFFFAOYSA-N
Instrument Name Jeol JMS SX102
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240160811
Molecular Weight 440.579 g/mol
SMILES C=1(F)C=C2C(C=3C=CC(F)=CC3)=NCC(=O)N(C2=CC1)CCCCCCCCCCCC
SPLASH splash10-0076-0090700000-febc3f530e326a6c2c97
Source of Spectrum HRC-16-497-9 (DOI: 10.1002/jhrc.1240160811)
Wiley ID 1911562