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2-[3,3-bis(Ethoxycarbonyl)bicyclo[3.1.0]hex-1-yl]propenoic acid

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

2-[3,3-bis(Ethoxycarbonyl)bicyclo[3.1.0]hex-1-yl]propenoic acid
SpectraBase Compound ID 50fcdocVnmb
InChI InChI=1S/C15H20O6/c1-4-20-12(18)15(13(19)21-5-2)7-10-6-14(10,8-15)9(3)11(16)17/h10H,3-8H2,1-2H3,(H,16,17)
InChIKey ORCCUTWCTCNHAF-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C15H20O6
Exact Mass 296.125988 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DsbaDCdXKDh
Name 2-[3,3-bis(Ethoxycarbonyl)bicyclo[3.1.0]hex-1-yl]propenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.125988358 u
Formula C15H20O6
InChI InChI=1S/C15H20O6/c1-4-20-12(18)15(13(19)21-5-2)7-10-6-14(10,8-15)9(3)11(16)17/h10H,3-8H2,1-2H3,(H,16,17)
InChIKey ORCCUTWCTCNHAF-UHFFFAOYSA-N
SMILES C(C(=C)C12CC(CC1C2)(C(=O)OCC)C(=O)OCC)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949108