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2-Pentanone, 5-[3-(acetyloxy)cyclopentyl]-

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

2-Pentanone, 5-[3-(acetyloxy)cyclopentyl]-
SpectraBase Compound ID 9YRswfngNS1
InChI InChI=1S/C12H20O3/c1-9(13)4-3-5-11-6-7-12(8-11)15-10(2)14/h11-12H,3-8H2,1-2H3
InChIKey KXECBGLZRSXUSJ-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ILfxAP0YBnU
Name 2-Pentanone, 5-[3-(acetyloxy)cyclopentyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9(13)4-3-5-11-6-7-12(8-11)15-10(2)14/h11-12H,3-8H2,1-2H3
InChIKey KXECBGLZRSXUSJ-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C(OC1CC(CCCC(=O)C)CC1)(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985598