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3-Hexene, 2,5-diisothiocyanato-2,5-dimethyl-
SpectraBase Compound ID 8v8E25vbL5X
InChI InChI=1S/C10H14N2S2/c1-9(2,11-7-13)5-6-10(3,4)12-8-14/h5-6H,1-4H3/b6-5+
InChIKey DROATKHRFYMIRU-AATRIKPKSA-N
Mol Weight 226.36 g/mol
Molecular Formula C10H14N2S2
Exact Mass 226.059841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85ZEOsHXwMM
Name 3-Hexene, 2,5-diisothiocyanato-2,5-dimethyl-
Alternate Name(s) (3E)-2,5-diisothiocyanato-2,5-dimethyl-3-hexene 2,5-Di-isothiocyanato-2,5-dimethylhex-3-ene
CAS Registry Number 116065-15-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N2S2
InChI InChI=1S/C10H14N2S2/c1-9(2,11-7-13)5-6-10(3,4)12-8-14/h5-6H,1-4H3/b6-5+
InChIKey DROATKHRFYMIRU-AATRIKPKSA-N
Molecular Weight 226.356 g/mol
SMILES C(N=C=S)(\C=C\C(N=C=S)(C)C)(C)C
SPLASH splash10-001i-1900000000-66881c42e554e9b7beec
Source of Spectrum KC-1987-2732-4
Wiley ID 1226952