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3-Acetyl-1-methylene-2,3-dihydro-1H-3-benzazepine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-Acetyl-1-methylene-2,3-dihydro-1H-3-benzazepine
SpectraBase Compound ID 1tPKD9zgR6K
InChI InChI=1S/C13H13NO/c1-10-9-14(11(2)15)8-7-12-5-3-4-6-13(10)12/h3-8H,1,9H2,2H3
InChIKey JTVZFWBWMDWKRC-UHFFFAOYSA-N
Mol Weight 199.25 g/mol
Molecular Formula C13H13NO
Exact Mass 199.099714 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4hkcotO46Er
Name 3-Acetyl-1-methylene-2,3-dihydro-1H-3-benzazepine
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/c1-10-9-14(11(2)15)8-7-12-5-3-4-6-13(10)12/h3-8H,1,9H2,2H3
InChIKey JTVZFWBWMDWKRC-UHFFFAOYSA-N
Molecular Weight 199.253 g/mol
SMILES C=1N(CC(C=2C=CC=CC2C1)=C)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920411