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4-BENZOYL-2-BENZOYLAMINO-5,5-PENTAMETHYLEN-4,5-DIHYDRO-1,3,4-THIADIAZOLE
SpectraBase Compound ID AwKoBN9iT2B
InChI InChI=1S/C21H21N3O2S/c25-18(16-10-4-1-5-11-16)22-20-23-24(19(26)17-12-6-2-7-13-17)21(27-20)14-8-3-9-15-21/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,22,23,25)
InChIKey QFUYKJFADOGOPB-UHFFFAOYSA-N
Mol Weight 379.48 g/mol
Molecular Formula C21H21N3O2S
Exact Mass 379.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXKVvVVKqLv
Name 4-Benzoyl-2-benzoylamino-5,5-pentamethylen-4,5-dihydro-1,3,4-thiadiazol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O2S
InChI InChI=1S/C21H21N3O2S/c25-18(16-10-4-1-5-11-16)22-20-23-24(19(26)17-12-6-2-7-13-17)21(27-20)14-8-3-9-15-21/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,22,23,25)
InChIKey QFUYKJFADOGOPB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19863280209
Molecular Weight 379.478 g/mol
SMILES N(C(c1ccccc1)=O)C=1SC2(N(N1)C(c1ccccc1)=O)CCCCC2
SPLASH splash10-0a6r-2916000000-31e9c1f1e7fc4d929a42
Source of Spectrum JF-328-211-2k
Synonyms N-(1-benzoyl-4-thia-1,2-diazaspiro[4.5]dec-2-en-3-yl)benzamide
Wiley ID 1791461