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3-me-4-ma but

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

3-me-4-ma but
SpectraBase Compound ID AzV1CegyziK
InChI InChI=1S/C15H23NO2/c1-5-6-15(17)16-12(3)10-13-7-8-14(18-4)11(2)9-13/h7-9,12H,5-6,10H2,1-4H3,(H,16,17)
InChIKey HZUXSKLQCBWSGT-UHFFFAOYSA-N
Mol Weight 249.35 g/mol
Molecular Formula C15H23NO2
Exact Mass 249.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7EZ8IJgaBzM
Name 3-me-4-ma but
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.172878983 u
Formula C15H23NO2
InChI InChI=1S/C15H23NO2/c1-5-6-15(17)16-12(3)10-13-7-8-14(18-4)11(2)9-13/h7-9,12H,5-6,10H2,1-4H3,(H,16,17)
InChIKey HZUXSKLQCBWSGT-UHFFFAOYSA-N
Molecular Weight 249.354 g/mol
SMILES C(NC(CCC)=O)(CC1=CC(=C(C=C1)OC)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966553