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1(2H)-Isoquinolinethione, 2-[[2,6-bis(1,1-dimethylethyl)cyclohexylidene]methyl]-3,4-dihydro-, cis-
SpectraBase Compound ID HyXbKhCPopU
InChI InChI=1S/C24H35NS/c1-23(2,3)20-12-9-13-21(24(4,5)6)19(20)16-25-15-14-17-10-7-8-11-18(17)22(25)26/h7-8,10-11,16,20-21H,9,12-15H2,1-6H3/b19-16-/t20-,21+/m1/s1
InChIKey JPIJCJLKIOGVQA-GVKQWIQZSA-N
Mol Weight 369.6 g/mol
Molecular Formula C24H35NS
Exact Mass 369.249021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VTbPP4Kdk
Name 1(2H)-Isoquinolinethione, 2-[[2,6-bis(1,1-dimethylethyl)cyclohexylidene]methyl]-3,4-dihydro-, cis-
CAS Registry Number 59631-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35NS
InChI InChI=1S/C24H35NS/c1-23(2,3)20-12-9-13-21(24(4,5)6)19(20)16-25-15-14-17-10-7-8-11-18(17)22(25)26/h7-8,10-11,16,20-21H,9,12-15H2,1-6H3/b19-16-/t20-,21+/m1/s1
InChIKey JPIJCJLKIOGVQA-GVKQWIQZSA-N
Molecular Weight 369.611 g/mol
SMILES C1(N(\C=C\2[C@](C(C)(C)C)(CCC[C@@]2(C(C)(C)C)[H])[H])CCc2ccccc12)=S
SPLASH splash10-0r6r-3059000000-0809d070db0f167ef133
Source of Spectrum K-109-919-4
Synonyms 2-(cis-2,6-di-tert-butylcyclohexylidenmethyl)-1,2,3,4-tetrahydroisoquinolin-1-thione 2-{[(2R,6S)-2,6-ditert-butylcyclohexylidene]methyl}-3,4-dihydro-1(2H)-isoquinolinethione
Wiley ID 1353835