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1,2-Benzisothiazole-3-pentanenitrile

View entire compound with spectra: 1 MS (GC)

1,2-Benzisothiazole-3-pentanenitrile
SpectraBase Compound ID 2yz28yfqR4z
InChI InChI=1S/C12H12N2S/c13-9-5-1-2-7-11-10-6-3-4-8-12(10)15-14-11/h3-4,6,8H,1-2,5,7H2
InChIKey SKZFQNCDHWJDAM-UHFFFAOYSA-N
Mol Weight 216.3 g/mol
Molecular Formula C12H12N2S
Exact Mass 216.07212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EG7A94EO3IM
Name 1,2-Benzisothiazole-3-pentanenitrile
CAS Registry Number 117402-51-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2S
InChI InChI=1S/C12H12N2S/c13-9-5-1-2-7-11-10-6-3-4-8-12(10)15-14-11/h3-4,6,8H,1-2,5,7H2
InChIKey SKZFQNCDHWJDAM-UHFFFAOYSA-N
Molecular Weight 216.302 g/mol
SMILES c12snc(c1cccc2)CCCCC#N
SPLASH splash10-0002-0910000000-d4e7c7fa599f3dd74757
Source of Spectrum KC-1988-2143-6
Synonyms 5-(1,2-Benzisothiazol-3-yl)-pentanonitrile 5-(1,2-benzisothiazol-3-yl)pentanenitrile
Wiley ID 1215551