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2,5-Dimethyl-6-(4-methylthiophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SpectraBase Compound ID 2jsJ0ZKajLb
InChI InChI=1S/C17H19NO2S/c1-10-8-14-15(17(20)18(2)16(14)19)9-13(10)11-4-6-12(21-3)7-5-11/h4-7,14-15H,8-9H2,1-3H3
InChIKey QOHXSMNYNSKMIQ-UHFFFAOYSA-N
Mol Weight 301.4 g/mol
Molecular Formula C17H19NO2S
Exact Mass 301.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7p7RmtrTvVX
Name 2,5-Dimethyl-6-(4-methylthiophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO2S
InChI InChI=1S/C17H19NO2S/c1-10-8-14-15(17(20)18(2)16(14)19)9-13(10)11-4-6-12(21-3)7-5-11/h4-7,14-15H,8-9H2,1-3H3
InChIKey QOHXSMNYNSKMIQ-UHFFFAOYSA-N
Molecular Weight 301.404 g/mol
SMILES C1(N(C(C2CC(=C(CC12)c1ccc(cc1)SC)C)=O)C)=O
SPLASH splash10-0udl-2409000000-c7179c0886883029af10
Source of Spectrum F-57-10353-9
Synonyms 2,5-Dimethyl-6-[4-(methylsulfanyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Wiley ID 1626868