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3-Methoxyu-2-propyl-4-tert-butylcyclopent-2-en-1-one

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

3-Methoxyu-2-propyl-4-tert-butylcyclopent-2-en-1-one
SpectraBase Compound ID 8SbK3nVYU6V
InChI InChI=1S/C13H22O2/c1-6-7-9-11(14)8-10(12(9)15-5)13(2,3)4/h10H,6-8H2,1-5H3
InChIKey RNQSIFXGALZMKK-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L6spxZtnMuC
Name 3-Methoxyu-2-propyl-4-tert-butylcyclopent-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-6-7-9-11(14)8-10(12(9)15-5)13(2,3)4/h10H,6-8H2,1-5H3
InChIKey RNQSIFXGALZMKK-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES C1(=C(C(=O)CC1C(C)(C)C)CCC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986167