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(3aR*,5R*)-5-Methyl-7-(phenylthio)-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one

View entire compound with spectra: 1 MS (GC)

(3aR*,5R*)-5-Methyl-7-(phenylthio)-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one
SpectraBase Compound ID KOFkyLjQuES
InChI InChI=1S/C15H17NOS/c1-10-7-11-9-16-15(17)14(11)13(8-10)18-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,16,17)/t10-,11+/m1/s1
InChIKey ZWNYVKVXFWDQOI-MNOVXSKESA-N
Mol Weight 259.37 g/mol
Molecular Formula C15H17NOS
Exact Mass 259.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 906a9dJhbm5
Name (3aR*,5R*)-5-Methyl-7-(phenylthio)-2,3,3a,4,5,6-hexahydro-1H-isoindol-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NOS
InChI InChI=1S/C15H17NOS/c1-10-7-11-9-16-15(17)14(11)13(8-10)18-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3,(H,16,17)/t10-,11+/m1/s1
InChIKey ZWNYVKVXFWDQOI-MNOVXSKESA-N
Molecular Weight 259.367 g/mol
SMILES N1C[C@@]2(C[C@](CC(=C2C1=O)Sc1ccccc1)(C)[H])[H]
SPLASH splash10-0bt9-0290000000-1562deaa6824d09ba89c
Source of Spectrum F-68-1189-13
Wiley ID 1707636