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[1aR-(1a.alpha.,4.alpha.,7.alpha.,7a.alpha.,7b.alpha.)]-1a,2,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-1H-cyclopropa[a]naphthalene-4-thiol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

[1aR-(1a.alpha.,4.alpha.,7.alpha.,7a.alpha.,7b.alpha.)]-1a,2,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-1H-cyclopropa[a]naphthalene-4-thiol
SpectraBase Compound ID EFz9ojEI6CC
InChI InChI=1S/C15H24S/c1-9-5-8-12(16)10-6-7-11-13(14(11,2)3)15(9,10)4/h6,9,11-13,16H,5,7-8H2,1-4H3/t9-,11-,12+,13+,15+/m1/s1
InChIKey YSQLHIXAVHFPJR-PYISLEMLSA-N
Mol Weight 236.42 g/mol
Molecular Formula C15H24S
Exact Mass 236.159872 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FFaBuibIYWO
Name [1ar-(1A.alpha.,4.alpha.,7.alpha.,7A.alpha.,7B.alpha.)]-1A,2,4,5,6,7,7A,7B-octahydro-1,1,7,7A-tetramethyl-1H-cyclopropa[A]naphthalene-4-thiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.159871947 u
Formula C15H24S
InChI InChI=1S/C15H24S/c1-9-5-8-12(16)10-6-7-11-13(14(11,2)3)15(9,10)4/h6,9,11-13,16H,5,7-8H2,1-4H3/t9-,11-,12+,13+,15+/m1/s1
InChIKey YSQLHIXAVHFPJR-PYISLEMLSA-N
Molecular Weight 236.417 g/mol
SMILES [C@@]12(C(C)(C)[C@@]2(CC=C2[C@@]1([C@@](CC[C@@]2(S)[H])(C)[H])C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937577