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AXINISOTHIOCYANATE_K
SpectraBase Compound ID Ilq8HPEHc0D
InChI InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,13-15H,5-8H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKey SRYJMNDTUAKSRD-KLHDSHLOSA-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 1CBRDAnZBI
Name 1(R),6(S)-Dimethyl-4(R)-isopropyl-1,2,3,4,7,8,9,10-octahydronaphthalene-1(R)thiocyanate
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Formula C16H25NS
InChI InChI=1S/C16H25NS/c1-11(2)13-7-8-16(4,17-10-18)15-6-5-12(3)9-14(13)15/h9,11,13-15H,5-8H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKey SRYJMNDTUAKSRD-KLHDSHLOSA-N
Molecular Weight 263.443 g/mol
SMILES [C@]12([C@]([C@@](N=C=S)(C)CC[C@@]2(C(C)C)[H])(CCC(=C1)C)[H])[H]
SPLASH splash10-06xt-3950000000-a1940209d26f2f2fd00b
Source of Spectrum G4-71-613-11
Synonyms Axinisothiocyanate J (1R,4R,4aR,8aS)-4-isothiocyanato-4,7-dimethyl-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Wiley ID 1694938