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Benzene, 2-(2-isothiocyanatoethyl)-1,4-dimethoxy-
SpectraBase Compound ID BnHHSqrmVnh
InChI InChI=1S/C11H13NO2S/c1-13-10-3-4-11(14-2)9(7-10)5-6-12-8-15/h3-4,7H,5-6H2,1-2H3
InChIKey QYVVYOAJVPHNPR-UHFFFAOYSA-N
Mol Weight 223.29 g/mol
Molecular Formula C11H13NO2S
Exact Mass 223.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89J9tEcTo4K
Name Benzene, 2-(2-isothiocyanatoethyl)-1,4-dimethoxy-
Alternate Name(s) 2-(2-Isothiocyanatoethyl)-1,4-dimethoxybenzene
CAS Registry Number 56771-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO2S
InChI InChI=1S/C11H13NO2S/c1-13-10-3-4-11(14-2)9(7-10)5-6-12-8-15/h3-4,7H,5-6H2,1-2H3
InChIKey QYVVYOAJVPHNPR-UHFFFAOYSA-N
Molecular Weight 223.290 g/mol
SMILES COc1ccc(c(c1)CCN=C=S)OC
SPLASH splash10-0udi-3900000000-50f9f7b1df07b0f22207
Source of Spectrum EP-7293-0-0
Wiley ID 1223823