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N-[2-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide
SpectraBase Compound ID BDAGpvB57Z4
InChI InChI=1S/C22H25N3OS/c1-2-3-4-5-9-16-20-24-25-22(27-20)18-14-10-11-15-19(18)23-21(26)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,23,26)
InChIKey KKWKMUBLOPNBSY-UHFFFAOYSA-N
Mol Weight 379.52 g/mol
Molecular Formula C22H25N3OS
Exact Mass 379.171834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmPCOT4y0db
Name N-[2-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl]benzamide
CAS Registry Number 87814-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3OS
InChI InChI=1S/C22H25N3OS/c1-2-3-4-5-9-16-20-24-25-22(27-20)18-14-10-11-15-19(18)23-21(26)17-12-7-6-8-13-17/h6-8,10-15H,2-5,9,16H2,1H3,(H,23,26)
InChIKey KKWKMUBLOPNBSY-UHFFFAOYSA-N
Molecular Weight 379.522 g/mol
SMILES N(C(=O)c1ccccc1)c1c(-c2nnc(s2)CCCCCCC)cccc1
SPLASH splash10-0kfx-1951000000-8f17ab0aafc2c370cc18
Source of Spectrum Y-20-984-2
Wiley ID 1359329