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N-Allylmethylone

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

N-Allylmethylone
SpectraBase Compound ID 6OPNwmKphPU
InChI InChI=1S/C14H17NO3/c1-4-7-15(3)10(2)14(16)11-5-6-12-13(8-11)18-9-17-12/h4-6,8,10H,1,7,9H2,2-3H3
InChIKey TTZYRCQMBVFFQQ-UHFFFAOYSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JxIdCA66us1
Name N-Allylmethylone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.120843408 u
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-4-7-15(3)10(2)14(16)11-5-6-12-13(8-11)18-9-17-12/h4-6,8,10H,1,7,9H2,2-3H3
InChIKey TTZYRCQMBVFFQQ-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES C=1(C(C(N(CC=C)C)C)=O)C=C2C(=CC1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938283