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2-(5-Pentyl-1,3,4-thiadiazol-2-yl)-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID BdsmhMmZ1kQ
InChI InChI=1S/C15H15N3O2S/c1-2-3-4-9-12-16-17-15(21-12)18-13(19)10-7-5-6-8-11(10)14(18)20/h5-8H,2-4,9H2,1H3
InChIKey MCUKMMHMJDKTNY-UHFFFAOYSA-N
Mol Weight 301.36 g/mol
Molecular Formula C15H15N3O2S
Exact Mass 301.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXz9J3uRD8Z
Name 2-(5-Pentyl-1,3,4-thiadiazol-2-yl)-1H-isoindole-1,3(2H)-dione
CAS Registry Number 331726-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N3O2S
InChI InChI=1S/C15H15N3O2S/c1-2-3-4-9-12-16-17-15(21-12)18-13(19)10-7-5-6-8-11(10)14(18)20/h5-8H,2-4,9H2,1H3
InChIKey MCUKMMHMJDKTNY-UHFFFAOYSA-N
Molecular Weight 301.364 g/mol
SMILES CCCCCc1sc(N2C(c3ccccc3C2=O)=O)nn1
SPLASH splash10-0fvj-9730000000-771aafa958323ea4cda9
Source of Spectrum AD-0-2532-0
Synonyms 2-(5-amyl-1,3,4-thiadiazol-2-yl)isoindoline-1,3-quinone 2-(5-pentyl-1,3,4-thiadiazol-2-yl)isoindole-1,3-dione 2-(5-pentyl-1,3,4-thiadiazol-2-yl)isoindoline-1,3-dione Isoindole-1,3(1H,3H)-dione, 2-(5-pentyl-1,3,4-thiadiazol-2-yl)-
Wiley ID 1425367