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N-Ethylbutylone-A (-H2O)one

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

N-Ethylbutylone-A (-H2O)one
SpectraBase Compound ID 9OxllIN2Pr3
InChI InChI=1S/C14H17NO3/c1-4-11(15(3)5-2)14(16)10-6-7-12-13(8-10)18-9-17-12/h4,6-8H,5,9H2,1-3H3/b11-4-
InChIKey SSDJGFMKJINGEV-WCIBSUBMSA-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 Bd18ETdVtXo
Name N-Ethylbutylone-A (-H2)
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/c1-4-11(15(3)5-2)14(16)10-6-7-12-13(8-10)18-9-17-12/h4,6-8H,5,9H2,1-3H3/b11-4-
InChIKey SSDJGFMKJINGEV-WCIBSUBMSA-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) 0.951283