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SESQUITERPENE AP-III
SpectraBase Compound ID 1fC6VioPv7p
InChI InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(17-10-18)8-7-12(3)9-15(14)16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16+/m1/s1
InChIKey IBYJYYWXLNYMJG-UGUYLWEFSA-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 AtaIq2ujO1j
Name (1R,4S,4aR,8aS)-4-isopropyl-8a-isothiocyanato-1,6-dimethyl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
CAS Registry Number 117605-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NS
InChI InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(17-10-18)8-7-12(3)9-15(14)16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16+/m1/s1
InChIKey IBYJYYWXLNYMJG-UGUYLWEFSA-N
Molecular Weight 263.443 g/mol
SMILES [C@]12([C@]([C@](C(C)C)(CC[C@]2(C)[H])[H])(C=C(CC1)C)[H])N=C=S
SPLASH splash10-0cl0-4930000000-14ec1710e995f1470dbc
Source of Spectrum B-41-983-3
Synonyms (1R,4S,4aR,8aS)-8a-isothiocyanato-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
Wiley ID 1267099