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8.alpha.,12-Epithio-13,14,15,16-tetranorlabdane
SpectraBase Compound ID 2d2Rrr2KyZz
InChI InChI=1S/C16H28S/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16-/m0/s1
InChIKey FPFCSAMQKCPDGY-XRGAULLZSA-N
Mol Weight 252.46 g/mol
Molecular Formula C16H28S
Exact Mass 252.191172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTKYp2BqMlF
Name 8.alpha.,12-Epithio-13,14,15,16-tetranorlabdane
Alternate Name(s) 3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28S
InChI InChI=1S/C16H28S/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16-/m0/s1
InChIKey FPFCSAMQKCPDGY-XRGAULLZSA-N
Molecular Weight 252.460 g/mol
SMILES [C@@]12([C@](C(C)(C)CCC2)(CC[C@]2([C@@]1(CCS2)[H])C)[H])C
SPLASH splash10-0mjc-9750000000-7738975d268e2be5a620
Source of Spectrum KC-61-4406-2
Wiley ID 1628988