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(1S,2R)-3-Vinylcyclohexa-3,5-dien-1,2-diyl diacetate

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

(1S,2R)-3-Vinylcyclohexa-3,5-dien-1,2-diyl diacetate
SpectraBase Compound ID LNRym3AJ62O
InChI InChI=1S/C12H14O4/c1-4-10-6-5-7-11(15-8(2)13)12(10)16-9(3)14/h4-7,11-12H,1H2,2-3H3/t11-,12+/m0/s1
InChIKey UDFCBMWQYKNDNM-NWDGAFQWSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GbuNkip7wuM
Name (1S,2R)-3-Vinylcyclohexa-3,5-dien-1,2-diyl diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-4-10-6-5-7-11(15-8(2)13)12(10)16-9(3)14/h4-7,11-12H,1H2,2-3H3/t11-,12+/m0/s1
InChIKey UDFCBMWQYKNDNM-NWDGAFQWSA-N
Molecular Weight 222.240 g/mol
SMILES [C@@]1(C(=CC=C[C@@]1(OC(=O)C)[H])C=C)(OC(=O)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810453