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3-Hydroxy-2-methyl-3-[(phenylsulfanyl)methyl]-2,3-dihydroisoindol-1-one
SpectraBase Compound ID gXpc9I6AGB
InChI InChI=1S/C16H15NO2S/c1-17-15(18)13-9-5-6-10-14(13)16(17,19)11-20-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKey YBWHAHUHPDNUFU-UHFFFAOYSA-N
Mol Weight 285.36 g/mol
Molecular Formula C16H15NO2S
Exact Mass 285.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QXUymMucR5
Name 3-Hydroxy-2-methyl-3-[(phenylsulfanyl)methyl]-2,3-dihydroisoindol-1-one
Alternate Name(s) 3-Hydroxy-2-methyl-3-[(phenylsulfanyl)methyl]-1-isoindolinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO2S
InChI InChI=1S/C16H15NO2S/c1-17-15(18)13-9-5-6-10-14(13)16(17,19)11-20-12-7-3-2-4-8-12/h2-10,19H,11H2,1H3
InChIKey YBWHAHUHPDNUFU-UHFFFAOYSA-N
Molecular Weight 285.361 g/mol
SMILES OC1(N(C(c2ccccc12)=O)C)CSc1ccccc1
SPLASH splash10-03di-2900000000-a5f2c52a6c9d08701f04
Source of Spectrum K1-2001-1842-7
Wiley ID 846357