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(1R,2R,5S,6R,7R,8S)-2,8-Dimethyl-2-thioisocyanato-5,6-isopropylidenebicyclo[5.3.0]decane

View entire compound with spectra: 1 MS (GC)

(1R,2R,5S,6R,7R,8S)-2,8-Dimethyl-2-thioisocyanato-5,6-isopropylidenebicyclo[5.3.0]decane
SpectraBase Compound ID 33Tqg1DPdH8
InChI InChI=1S/C16H25NS/c1-10-5-6-11-13(10)14-12(15(14,2)3)7-8-16(11,4)17-9-18/h10-14H,5-8H2,1-4H3/t10-,11+,12?,13-,14-,16+/m0/s1
InChIKey ARPIGBFJJLTHFU-ITNBPFGFSA-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 4i2Yfo5WmLw
Name (1R,2R,5S,6R,7R,8S)-2,8-Dimethyl-2-thioisocyanato-5,6-isopropylidenebicyclo[5.3.0]decane
Alternate Name(s) (1aR,4R,4aR,7S,7aR,7bR)-4-isothiocyanato-1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulene 2,8-Dimethyl-2-thioisocyanato-5,6-isopropylidenebicyclo[5.3.0]decane
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Formula C16H25NS
InChI InChI=1S/C16H25NS/c1-10-5-6-11-13(10)14-12(15(14,2)3)7-8-16(11,4)17-9-18/h10-14H,5-8H2,1-4H3/t10-,11+,12?,13-,14-,16+/m0/s1
InChIKey ARPIGBFJJLTHFU-ITNBPFGFSA-N
Molecular Weight 263.443 g/mol
SMILES [C@]12(C(C)(C)C2CC[C@]([C@]2([C@@]1([C@](CC2)(C)[H])[H])[H])(N=C=S)C)[H]
SPLASH splash10-03di-0390000000-fac91881622496b720a2
Source of Spectrum F-52-2366-5
Wiley ID 795330