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7-fluoro-5-(4-fluorophenyl)-1-hexadecyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID JRGcHkL8hoj
InChI InChI=1S/C31H42F2N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-35-29-21-20-27(33)23-28(29)31(34-24-30(35)36)25-16-18-26(32)19-17-25/h16-21,23H,2-15,22,24H2,1H3
InChIKey HQJQCONAHNOESN-UHFFFAOYSA-N
Mol Weight 496.7 g/mol
Molecular Formula C31H42F2N2O
Exact Mass 496.32652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfS79rclxYA
Name 7-fluoro-5-(4-fluorophenyl)-1-hexadecyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 496.326520305 u
Formula C31H42F2N2O
InChI InChI=1S/C31H42F2N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-35-29-21-20-27(33)23-28(29)31(34-24-30(35)36)25-16-18-26(32)19-17-25/h16-21,23H,2-15,22,24H2,1H3
InChIKey HQJQCONAHNOESN-UHFFFAOYSA-N
Instrument Name Jeol JMS SX102
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240160811
Molecular Weight 496.687 g/mol
SMILES C=1(F)C=C2C(C=3C=CC(F)=CC3)=NCC(=O)N(C2=CC1)CCCCCCCCCCCCCCCC
SPLASH splash10-006t-0090600000-63c193301d80528a0779
Source of Spectrum HRC-16-497-11 (DOI: 10.1002/jhrc.1240160811)
Wiley ID 1911557