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1,3-Dibutoxy-4,6-bis(isothiocyanatomethyl)benzene
SpectraBase Compound ID IOiYdSNwcRx
InChI InChI=1S/C18H24N2O2S2/c1-3-5-7-21-17-10-18(22-8-6-4-2)16(12-20-14-24)9-15(17)11-19-13-23/h9-10H,3-8,11-12H2,1-2H3
InChIKey WJMABHWWRDZMBM-UHFFFAOYSA-N
Mol Weight 364.52 g/mol
Molecular Formula C18H24N2O2S2
Exact Mass 364.12792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lo1b3CUmt9e
Name 1,3-Dibutoxy-4,6-bis(isothiocyanatomethyl)benzene
Alternate Name(s) 1,5-dibutoxy-2,4-bis(isothiocyanatomethyl)benzene
Comments Less than 3 mono-isotopic peaks
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Formula C18H24N2O2S2
InChI InChI=1S/C18H24N2O2S2/c1-3-5-7-21-17-10-18(22-8-6-4-2)16(12-20-14-24)9-15(17)11-19-13-23/h9-10H,3-8,11-12H2,1-2H3
InChIKey WJMABHWWRDZMBM-UHFFFAOYSA-N
Molecular Weight 364.522 g/mol
SMILES c1(cc(c(cc1CN=C=S)CN=C=S)OCCCC)OCCCC
SPLASH splash10-0a4i-0009000000-743f23e9b147d5d8b65a
Source of Spectrum J-65-281-13
Wiley ID 1532055