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1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-

View entire compound with spectra: 1 MS (GC)

1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-
SpectraBase Compound ID 1Adm661yhWH
InChI InChI=1S/C12H13NO3S/c1-2-3-8-17(16)13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3
InChIKey LGJFRUZRUODPDI-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yjB3DKQYkQ
Name 1H-Isoindole-1,3(2H)-dione, 2-(butylsulfinyl)-
CAS Registry Number 40318-14-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-2-3-8-17(16)13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3
InChIKey LGJFRUZRUODPDI-UHFFFAOYSA-N
Molecular Weight 251.300 g/mol
SMILES CCCCS(N1C(c2ccccc2C1=O)=O)=O
SPLASH splash10-0kc7-9600000000-b9362c462cdeaefa4574
Source of Spectrum J-8-4332-8
Synonyms 2-(Butylsulfinyl)-1H-isoindole-1,3(2H)-dione 2-Butylsulfinylisoindole-1,3-dione 2-Butylsulfinylisoindoline-1,3-dione 2-Butylsulfinylisoindoline-1,3-quinone
Wiley ID 1254363