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1-decyl-7-fluoro-5-(4-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
SpectraBase Compound ID 3BsufCOAaKh
InChI InChI=1S/C25H30F2N2O/c1-2-3-4-5-6-7-8-9-16-29-23-15-14-21(27)17-22(23)25(28-18-24(29)30)19-10-12-20(26)13-11-19/h10-15,17H,2-9,16,18H2,1H3
InChIKey TWTOACRHUKIOBI-UHFFFAOYSA-N
Mol Weight 412.52 g/mol
Molecular Formula C25H30F2N2O
Exact Mass 412.23262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UeNdQqgzrY
Name 1-decyl-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.
Formula C25H30F2N2O
InChI InChI=1S/C25H30F2N2O/c1-2-3-4-5-6-7-8-9-16-29-23-15-14-21(27)17-22(23)25(28-18-24(29)30)19-10-12-20(26)13-11-19/h10-15,17H,2-9,16,18H2,1H3
InChIKey TWTOACRHUKIOBI-UHFFFAOYSA-N
Instrument Name Jeol JMS SX102
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240160811
Molecular Weight 412.525 g/mol
SMILES C=1(F)C=C2C(C=3C=CC(F)=CC3)=NCC(=O)N(C2=CC1)CCCCCCCCCC
SPLASH splash10-03k9-0091500000-6692b13ddc2890c538ab
Source of Spectrum HRC-16-497-8 (DOI: 10.1002/jhrc.1240160811)
Wiley ID 1911561