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7-fluoro-5-(4-fluorophenyl)-1-tetradecyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID 1PXa4Elyd4g
InChI InChI=1S/C29H38F2N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-33-27-19-18-25(31)21-26(27)29(32-22-28(33)34)23-14-16-24(30)17-15-23/h14-19,21H,2-13,20,22H2,1H3
InChIKey GVFOVOWJIITIGE-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C29H38F2N2O
Exact Mass 468.29522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2VIFEloGD6
Name 7-fluoro-5-(4-fluorophenyl)-1-tetradecyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.295220177 u
Formula C29H38F2N2O
InChI InChI=1S/C29H38F2N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-33-27-19-18-25(31)21-26(27)29(32-22-28(33)34)23-14-16-24(30)17-15-23/h14-19,21H,2-13,20,22H2,1H3
InChIKey GVFOVOWJIITIGE-UHFFFAOYSA-N
Instrument Name Jeol JMS SX102
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240160811
Molecular Weight 468.633 g/mol
SMILES C=1(F)C=C2C(C=3C=CC(F)=CC3)=NCC(=O)N(C2=CC1)CCCCCCCCCCCCCC
SPLASH splash10-01b9-0090500000-82cfbc2f47e272459864
Source of Spectrum HRC-16-497-10 (DOI: 10.1002/jhrc.1240160811)
Wiley ID 1911556