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Phenethylamine 2-methylbenzoyl

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

Phenethylamine 2-methylbenzoyl
SpectraBase Compound ID Ll2WbGUUeUB
InChI InChI=1S/C16H17NO/c1-13-7-5-6-10-15(13)16(18)17-12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKey GSBKTZGAXXREIT-UHFFFAOYSA-N
Mol Weight 239.32 g/mol
Molecular Formula C16H17NO
Exact Mass 239.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AuS1QKEIPsq
Name Phenethylamine 2-methylbenzoyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.131014170 u
Formula C16H17NO
InChI InChI=1S/C16H17NO/c1-13-7-5-6-10-15(13)16(18)17-12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKey GSBKTZGAXXREIT-UHFFFAOYSA-N
Molecular Weight 239.318 g/mol
SMILES C1(C(NCCC2=CC=CC=C2)=O)=C(C=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945857