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3-(Methoxycarbonylmethyl)indole-2-isothiocyanate
SpectraBase Compound ID 1YR8wAlW5Pt
InChI InChI=1S/C12H10N2O2S/c1-16-11(15)6-9-8-4-2-3-5-10(8)14-12(9)13-7-17/h2-5,14H,6H2,1H3
InChIKey POMUOTIRPRFHNR-UHFFFAOYSA-N
Mol Weight 246.28 g/mol
Molecular Formula C12H10N2O2S
Exact Mass 246.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1Y7VJs48yu
Name 3-(Methoxycarbonylmethyl)indole-2-isothiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O2S
InChI InChI=1S/C12H10N2O2S/c1-16-11(15)6-9-8-4-2-3-5-10(8)14-12(9)13-7-17/h2-5,14H,6H2,1H3
InChIKey POMUOTIRPRFHNR-UHFFFAOYSA-N
Molecular Weight 246.284 g/mol
SMILES [nH]1c2ccccc2c(c1N=C=S)CC(=O)OC
SPLASH splash10-000k-0960000000-9f9354319ddcc6066a41
Source of Spectrum AT-31-7232-1
Synonyms Methyl (2-isothiocyanato-1H-indol-3-yl)acetate
Wiley ID 835814