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2,3,3-Trimethyl-6-oxabibylohex-1-ene-carboxylic-acid-ethylester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

2,3,3-Trimethyl-6-oxabibylohex-1-ene-carboxylic-acid-ethylester
SpectraBase Compound ID 638KGEA65wu
InChI InChI=1S/C12H18O3/c1-5-15-11(14)10-8(2)12(3,4)7-6-9(10)13/h5-7H2,1-4H3
InChIKey MNFQPMLCRJELRB-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID pVdscHIhLI
Name 2,3,3-Trimethyl-6-oxabibylohex-1-ene-carboxylic-acid-ethylester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-5-15-11(14)10-8(2)12(3,4)7-6-9(10)13/h5-7H2,1-4H3
InChIKey MNFQPMLCRJELRB-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1(=O)C(=C(C)C(C)(C)CC1)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.99179