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(3rs,4sr,5sr)-4-Ethenyl-5-phenyl-tetrahydrofuran-3-carboxylic_acid

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

(3rs,4sr,5sr)-4-Ethenyl-5-phenyl-tetrahydrofuran-3-carboxylic_acid
SpectraBase Compound ID KgeWVSqqyuC
InChI InChI=1S/C13H14O3/c1-2-10-11(13(14)15)8-16-12(10)9-6-4-3-5-7-9/h2-7,10-12H,1,8H2,(H,14,15)/t10-,11-,12+/m0/s1
InChIKey MTQSXQPHRWZREZ-SDDRHHMPSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KXmPJ85Tlw0
Name (3rs,4sr,5sr)-4-Ethenyl-5-phenyl-tetrahydrofuran-3-carboxylic_acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.094294308 u
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-2-10-11(13(14)15)8-16-12(10)9-6-4-3-5-7-9/h2-7,10-12H,1,8H2,(H,14,15)/t10-,11-,12+/m0/s1
InChIKey MTQSXQPHRWZREZ-SDDRHHMPSA-N
Molecular Weight 218.252 g/mol
SMILES [C@]1(OC[C@@]([C@@]1(C=C)[H])(C(=O)O)[H])(C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95548