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Bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylic acid, 2-ethyl 2-(oxiranylmethyl) ester
SpectraBase Compound ID E2e1OAGf0j7
InChI InChI=1S/C14H18O5/c1-2-17-12(15)14(6-9-3-4-10(14)5-9)13(16)19-8-11-7-18-11/h3-4,9-11H,2,5-8H2,1H3
InChIKey BJBIDAMWKULKLI-UHFFFAOYSA-N
Mol Weight 266.29 g/mol
Molecular Formula C14H18O5
Exact Mass 266.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J8kYGvheOUO
Name Bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylic acid, 2-ethyl 2-(oxiranylmethyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.115423675 u
Formula C14H18O5
InChI InChI=1S/C14H18O5/c1-2-17-12(15)14(6-9-3-4-10(14)5-9)13(16)19-8-11-7-18-11/h3-4,9-11H,2,5-8H2,1H3
InChIKey BJBIDAMWKULKLI-UHFFFAOYSA-N
Molecular Weight 266.293 g/mol
SMILES CCOC(C1(CC2C=CC1C2)C(=O)OCC1CO1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982069