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(1S,2R,3S,5S)-1,3-bis(Methoxycarbonyl)-5-[1'-(methoxycarbonyl)-2'-hydroxyethenyl]-2-methylcyclopentane

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

(1S,2R,3S,5S)-1,3-bis(Methoxycarbonyl)-5-[1'-(methoxycarbonyl)-2'-hydroxyethenyl]-2-methylcyclopentane
SpectraBase Compound ID KH0iq5JbRkm
InChI InChI=1S/C14H20O7/c1-7-11(21-8(2)16)5-9(12(7)14(18)20-4)10(6-15)13(17)19-3/h6-7,9,11-12,15H,5H2,1-4H3/b10-6+/t7-,9+,11-,12+/m0/s1
InChIKey AAKAKDYPEWRCAP-SCTCFABISA-N
Mol Weight 300.31 g/mol
Molecular Formula C14H20O7
Exact Mass 300.120903 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LrEJtxhFoGo
Name (1S,2R,3S,5S)-1,3-bis(Methoxycarbonyl)-5-[1'-(methoxycarbonyl)-2'-hydroxyethenyl]-2-methylcyclopentane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.120902977 u
Formula C14H20O7
InChI InChI=1S/C14H20O7/c1-7-11(21-8(2)16)5-9(12(7)14(18)20-4)10(6-15)13(17)19-3/h6-7,9,11-12,15H,5H2,1-4H3/b10-6+/t7-,9+,11-,12+/m0/s1
InChIKey AAKAKDYPEWRCAP-SCTCFABISA-N
SMILES [C@@]1(\C(C(=O)OC)=C/O)([C@@]([C@@](C)([C@](C1)(OC(=O)C)[H])[H])(C(=O)OC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804862