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(+)-(1R,2S,4R,5S)-exo,exo-dimethylbicyclo[2.2,1]heptan-2,5-dicarboxylate

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

(+)-(1R,2S,4R,5S)-exo,exo-dimethylbicyclo[2.2,1]heptan-2,5-dicarboxylate
SpectraBase Compound ID 5GJVQt1ZYcl
InChI InChI=1S/C11H16O4/c1-14-10(12)8-4-7-3-6(8)5-9(7)11(13)15-2/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m1/s1
InChIKey UMXNNMWDDAKHJK-HXFLIBJXSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HpOiXC53R90
Name (+)-(1R,2S,4R,5S)-exo,exo-dimethylbicyclo[2.2,1]heptan-2,5-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.104858991 u
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-14-10(12)8-4-7-3-6(8)5-9(7)11(13)15-2/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m1/s1
InChIKey UMXNNMWDDAKHJK-HXFLIBJXSA-N
Molecular Weight 212.245 g/mol
SMILES [C@@]12([C@](C[C@@](C2)([C@](C1)(C(=O)OC)[H])[H])(C(=O)OC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932543