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2-(2-hydroxyheptyl)isoindole-1,3-dione

View entire compound with spectra: 1 MS (GC)

2-(2-hydroxyheptyl)isoindole-1,3-dione
SpectraBase Compound ID JsBdynnSwe8
InChI InChI=1S/C15H19NO3/c1-2-3-4-7-11(17)10-16-14(18)12-8-5-6-9-13(12)15(16)19/h5-6,8-9,11,17H,2-4,7,10H2,1H3
InChIKey KOQGJEMPSDAEGL-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CTq0S4rIL2
Name 2-(2-hydroxyheptyl)isoindole-1,3-dione
Alternate Name(s) 2-(2-hydroxyheptyl)isoindoline-1,3-dione 2-(2-hydroxyheptyl)isoindoline-1,3-quinone 2-(2-oxidanylheptyl)isoindole-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-2-3-4-7-11(17)10-16-14(18)12-8-5-6-9-13(12)15(16)19/h5-6,8-9,11,17H,2-4,7,10H2,1H3
InChIKey KOQGJEMPSDAEGL-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES OC(CN1C(c2ccccc2C1=O)=O)CCCCC
SPLASH splash10-03di-0900000000-8316340ef5801dcf50d1
Source of Spectrum J-58-598-28
Wiley ID 1264856