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N-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SpectraBase Compound ID ewFUOQCKtE
InChI InChI=1S/C16H17N3O3S/c20-14(10-4-2-1-3-5-10)17-16-19-18-15(23-16)11-6-7-12-13(8-11)22-9-21-12/h6-8,10H,1-5,9H2,(H,17,19,20)
InChIKey VAPCFQKKYGSKDC-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C16H17N3O3S
Exact Mass 331.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhzqQGIfbHN
Name N-[5-(1,3-Benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
Alternate Name(s) Cyclohexanecarboxamide, N-[5-(3,4-methylenedioxyphenyl)-1,3,4-thiadiazol-2-yl]-
CAS Registry Number 296896-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O3S
InChI InChI=1S/C16H17N3O3S/c20-14(10-4-2-1-3-5-10)17-16-19-18-15(23-16)11-6-7-12-13(8-11)22-9-21-12/h6-8,10H,1-5,9H2,(H,17,19,20)
InChIKey VAPCFQKKYGSKDC-UHFFFAOYSA-N
Molecular Weight 331.390 g/mol
SMILES N(c1sc(nn1)-c1cc2OCOc2cc1)C(=O)C1CCCCC1
SPLASH splash10-00e9-9462000000-a70fd7fc5a7070ebcede
Source of Spectrum AD-0-2532-0
Wiley ID 1428292