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Bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylic acid

View entire compound with spectra: 1 FTIR

Bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylic acid
SpectraBase Compound ID KLOIu4PFQ9k
InChI InChI=1S/C9H8O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-5H,3H2,(H,10,11)(H,12,13)/t4-,5+
InChIKey NRIMHVFWRMABGJ-SYDPRGILSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KOnSbgp2jS5
Name Bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.042258734 u
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-5H,3H2,(H,10,11)(H,12,13)/t4-,5+
InChIKey NRIMHVFWRMABGJ-SYDPRGILSA-N
Molecular Weight 180.159 g/mol
SMILES C1(=C(C(O)=O)[C@]2(C=C[C@@]1(C2)[H])[H])C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802023