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(3S,3aR,4R,7aR)-3-(1-isothiocyanato-2-methyl-allyl)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene
SpectraBase Compound ID JeibOY7zWsZ
InChI InChI=1S/C16H25NS/c1-11(2)15(17-10-18)13-7-9-16(4)8-5-6-12(3)14(13)16/h12-15H,1,5-9H2,2-4H3/t12-,13+,14-,15?,16-/m1/s1
InChIKey DYINHGJSKDCGLB-IOUZAIRSSA-N
Mol Weight 263.44 g/mol
Molecular Formula C16H25NS
Exact Mass 263.170771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MGuAKpCr3J
Name (3S,3aR,4R,7aR)-3-(1-isothiocyanato-2-methyl-allyl)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NS
InChI InChI=1S/C16H25NS/c1-11(2)15(17-10-18)13-7-9-16(4)8-5-6-12(3)14(13)16/h12-15H,1,5-9H2,2-4H3/t12-,13+,14-,15?,16-/m1/s1
InChIKey DYINHGJSKDCGLB-IOUZAIRSSA-N
Molecular Weight 263.443 g/mol
SMILES [C@@]1([C@@]2([C@@](CCC[C@]2(C)[H])(C)CC1)[H])(C(N=C=S)C(=C)C)[H]
SPLASH splash10-0zfr-0950000000-35d22122e441699be089
Source of Spectrum F-52-2366-4
Synonyms (3S,3aR,4R,7aR)-3-(1-isothiocyanato-2-methyl-prop-2-enyl)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene
Wiley ID 795331