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Methyl (3S)-3-(acetyloxy)-2-pentylcyclopent-1-ene-1-acetate

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

Methyl (3S)-3-(acetyloxy)-2-pentylcyclopent-1-ene-1-acetate
SpectraBase Compound ID 6oqzCsDXkgg
InChI InChI=1S/C15H24O4/c1-4-5-6-7-13-12(10-15(17)18-3)8-9-14(13)19-11(2)16/h14H,4-10H2,1-3H3/t14-/m0/s1
InChIKey XVPSETYLQHVBJG-AWEZNQCLSA-N
Mol Weight 268.35 g/mol
Molecular Formula C15H24O4
Exact Mass 268.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 793ZNBIFLhy
Name Methyl (3S)-3-(acetyloxy)-2-pentylcyclopent-1-ene-1-acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.167459249 u
Formula C15H24O4
InChI InChI=1S/C15H24O4/c1-4-5-6-7-13-12(10-15(17)18-3)8-9-14(13)19-11(2)16/h14H,4-10H2,1-3H3/t14-/m0/s1
InChIKey XVPSETYLQHVBJG-AWEZNQCLSA-N
Molecular Weight 268.353 g/mol
SMILES C1C[C@](OC(C)=O)(C(CCCCC)=C1CC(OC)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960033