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AXINISOTHIOCYANATE_D
SpectraBase Compound ID 8J0iuL5MtOV
InChI InChI=1S/C16H25NO2S/c1-11(2)16(19)8-7-15(4,17-10-20)12-5-6-14(3,18)9-13(12)16/h9,11-12,18-19H,5-8H2,1-4H3/t12-,14-,15+,16+/m1/s1
InChIKey ZUDSVIIZJCRBTA-OJLVUWQFSA-N
Mol Weight 295.44 g/mol
Molecular Formula C16H25NO2S
Exact Mass 295.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsdFUByMwh2
Name 1,6(R)-Dimethyl-4-isopropyl-5,6(S)-dihydroxy-1,2,3,4,6,7,8,9-octahydronaphthalene-1(R / S)-isothiocyanate
Alternate Name(s) Axinisothiocyanate D (1S,4S,4aR,7R)-4-isothiocyanato-4,7-dimethyl-1-propan-2-yl-3,4a,5,6-tetrahydro-2H-naphthalene-1,7-diol
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Formula C16H25NO2S
InChI InChI=1S/C16H25NO2S/c1-11(2)16(19)8-7-15(4,17-10-20)12-5-6-14(3,18)9-13(12)16/h9,11-12,18-19H,5-8H2,1-4H3/t12-,14-,15+,16+/m1/s1
InChIKey ZUDSVIIZJCRBTA-OJLVUWQFSA-N
Molecular Weight 295.441 g/mol
SMILES O[C@@]1(CC[C@@]2(C([C@](CC[C@@]2(N=C=S)C)(C(C)C)O)=C1)[H])C
SPLASH splash10-0fb9-0590000000-8829b8b9fff60048b60f
Source of Spectrum G4-71-613-4
Wiley ID 1694944