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AXINISOTHIOCYANATE_G
SpectraBase Compound ID ETVKA8bPevq
InChI InChI=1S/C16H25NO2S/c1-11(2)12-5-6-15(4,17-10-20)16(19)8-7-14(3,18)9-13(12)16/h9,11-12,18-19H,5-8H2,1-4H3/t12-,14+,15-,16-/m0/s1
InChIKey GNODDEQSJFIPCL-UKMLZYKCSA-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 1GSp6ldYGWw
Name Axinisothiocyanate G
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO2S
InChI InChI=1S/C16H25NO2S/c1-11(2)12-5-6-15(4,17-10-20)16(19)8-7-14(3,18)9-13(12)16/h9,11-12,18-19H,5-8H2,1-4H3/t12-,14+,15-,16-/m0/s1
InChIKey GNODDEQSJFIPCL-UKMLZYKCSA-N
Molecular Weight 295.441 g/mol
SMILES O[C@]1(C=C2[C@]([C@](CC[C@]2(C(C)C)[H])(N=C=S)C)(CC1)O)C
SPLASH splash10-015i-0960000000-8a2cf3969edb17347852
Source of Spectrum G4-71-613-7
Synonyms (2R,4aS,5S,8S)-5-isothiocyanato-2,5-dimethyl-8-propan-2-yl-4,6,7,8-tetrahydro-3H-naphthalene-2,4a-diol
Wiley ID 1694941