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2-(2-hydroxypentyl)isoindole-1,3-dione
SpectraBase Compound ID KA7HH4i3NUK
InChI InChI=1S/C13H15NO3/c1-2-5-9(15)8-14-12(16)10-6-3-4-7-11(10)13(14)17/h3-4,6-7,9,15H,2,5,8H2,1H3
InChIKey UZYHZTVWNIQYDV-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DanCKVvmjP1
Name 2-(2-hydroxypentyl)isoindole-1,3-dione
Alternate Name(s) 2-(2-hydroxypentyl)isoindoline-1,3-dione 2-(2-hydroxypentyl)isoindoline-1,3-quinone 2-(2-oxidanylpentyl)isoindole-1,3-dione
CAS Registry Number 100423-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-2-5-9(15)8-14-12(16)10-6-3-4-7-11(10)13(14)17/h3-4,6-7,9,15H,2,5,8H2,1H3
InChIKey UZYHZTVWNIQYDV-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES OC(CN1C(c2ccccc2C1=O)=O)CCC
SPLASH splash10-03di-1900000000-fe7acf2f11f9b09befb4
Source of Spectrum AJ-58-1998-8
Wiley ID 1234916