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6-(1,3-dioxo-2-isoindolyl)hexanoic acid (methylthio)methyl ester
SpectraBase Compound ID 5Md8SpsIavz
InChI InChI=1S/C16H19NO4S/c1-22-11-21-14(18)9-3-2-6-10-17-15(19)12-7-4-5-8-13(12)16(17)20/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKey ANMVNPGLORXBNV-UHFFFAOYSA-N
Mol Weight 321.39 g/mol
Molecular Formula C16H19NO4S
Exact Mass 321.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cRBtbu2nnG
Name 6-(1,3-dioxo-2-isoindolyl)hexanoic acid (methylthio)methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4S
InChI InChI=1S/C16H19NO4S/c1-22-11-21-14(18)9-3-2-6-10-17-15(19)12-7-4-5-8-13(12)16(17)20/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKey ANMVNPGLORXBNV-UHFFFAOYSA-N
Molecular Weight 321.391 g/mol
SMILES C(CCCCCN1C(=O)c2c(C1=O)cccc2)(=O)OCSC
SPLASH splash10-03di-5910000000-a36b8d2ba1c002843e92
Source of Spectrum J-65-9031-1
Synonyms Methylsulfanylmethyl 6-(1,3-dioxoisoindol-2-yl)hexanoate Methylsulfanylmethyl 6-(1,3-dioxoisoindolin-2-yl)hexanoate Methylsulfanylmethyl 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate
Wiley ID 1534077