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3-Buten-2-one, 4-(1-methyl-1H-indol-3-yl)-, (E)-

View entire compound with spectra: 1 FTIR, and 1 Raman

3-Buten-2-one, 4-(1-methyl-1H-indol-3-yl)-, (E)-
SpectraBase Compound ID EMd2eUet77e
InChI InChI=1S/C13H13NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9H,1-2H3/b8-7-
InChIKey HCYQBFAGILCNRB-FPLPWBNLSA-N
Mol Weight 199.25 g/mol
Molecular Formula C13H13NO
Exact Mass 199.099714 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8X3M5an2VxU
Name 3-Buten-2-one, 4-(1-methyl-1H-indol-3-yl)-, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 199.099714042 u
Formula C13H13NO
InChI InChI=1S/C13H13NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9H,1-2H3/b8-7-
InChIKey HCYQBFAGILCNRB-FPLPWBNLSA-N
Molecular Weight 199.253 g/mol
SMILES C=1N(C=2C=CC=CC2C1\C=C/C(=O)C)C
Spectrum/Structure Validation Score (Raman) 0.830317