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(3aR,5R,7aS)-2,5-dimethyl-6-(methylthio)-1,3,3a,4,5,7a-hexahydroisoindole
SpectraBase Compound ID 7AnkTN9XZN1
InChI InChI=1S/C11H19NS/c1-8-4-9-6-12(2)7-10(9)5-11(8)13-3/h5,8-10H,4,6-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey SAIBCYPNTIMJCP-UTLUCORTSA-N
Mol Weight 197.34 g/mol
Molecular Formula C11H19NS
Exact Mass 197.123821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TeZzFepgu
Name (3aR,5R,7aS)-2,5-dimethyl-6-(methylthio)-1,3,3a,4,5,7a-hexahydroisoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19NS
InChI InChI=1S/C11H19NS/c1-8-4-9-6-12(2)7-10(9)5-11(8)13-3/h5,8-10H,4,6-7H2,1-3H3/t8-,9+,10+/m1/s1
InChIKey SAIBCYPNTIMJCP-UTLUCORTSA-N
Molecular Weight 197.340 g/mol
SMILES C1=C([C@](C)(C[C@@]2([C@@]1(CN(C)C2)[H])[H])[H])SC
SPLASH splash10-001i-3900000000-f32ca031b1be9befc754
Source of Spectrum F-54-9552-37
Synonyms (3aR,5R,7aS)-2,5-dimethyl-6-methylsulfanyl-1,3,3a,4,5,7a-hexahydroisoindole
Wiley ID 808258