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5-tert-Butyl-1H-isoindole-1,3(2H)-dione

View entire compound with spectra: 3 MS (GC)

5-tert-Butyl-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID 3udpMzoz4G
InChI InChI=1S/C12H13NO2/c1-12(2,3)7-4-5-8-9(6-7)11(15)13-10(8)14/h4-6H,1-3H3,(H,13,14,15)
InChIKey MQAXXSNRKXXVON-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5EQ80FwuxP
Name 5-tert-Butyl-1H-isoindole-1,3(2H)-dione
CAS Registry Number 50727-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-12(2,3)7-4-5-8-9(6-7)11(15)13-10(8)14/h4-6H,1-3H3,(H,13,14,15)
InChIKey MQAXXSNRKXXVON-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES N1C(c2ccc(cc2C1=O)C(C)(C)C)=O
SPLASH splash10-000i-3900000000-80c66749e84430a46efd
Source of Spectrum AD-0-2532-0
Synonyms 5-tert-Butylisoindole-1,3-dione 5-tert-Butylisoindoline-1,3-dione 5-tert-Butylisoindoline-1,3-quinone Isoindole-1,3-dione, 5-tert-butyl-1,3-dihydro-
Wiley ID 1421483