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2-Benzyl-3-propenylisoindol-1-one

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

2-Benzyl-3-propenylisoindol-1-one
SpectraBase Compound ID 1ocRMOifpMv
InChI InChI=1S/C18H17NO/c1-2-8-17-15-11-6-7-12-16(15)18(20)19(17)13-14-9-4-3-5-10-14/h2-12,17H,13H2,1H3/b8-2+
InChIKey VVKZSFXGAIRHIC-KRXBUXKQSA-N
Mol Weight 263.34 g/mol
Molecular Formula C18H17NO
Exact Mass 263.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bawm1J6G1ON
Name 2-Benzyl-3-propenylisoindol-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.131014170 u
Formula C18H17NO
InChI InChI=1S/C18H17NO/c1-2-8-17-15-11-6-7-12-16(15)18(20)19(17)13-14-9-4-3-5-10-14/h2-12,17H,13H2,1H3/b8-2+
InChIKey VVKZSFXGAIRHIC-KRXBUXKQSA-N
Molecular Weight 263.340 g/mol
SMILES C1(N(C(C=2C=CC=CC12)\C=C\C)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813917