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2-Butene-1,1,4-triol, triacetate, (E)-

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

2-Butene-1,1,4-triol, triacetate, (E)-
SpectraBase Compound ID 54VUyKSo3N5
InChI InChI=1S/C10H14O6/c1-7(11)14-6-4-5-10(15-8(2)12)16-9(3)13/h4-5,10H,6H2,1-3H3/b5-4+
InChIKey YJUITODYZJOKME-SNAWJCMRSA-N
Mol Weight 230.22 g/mol
Molecular Formula C10H14O6
Exact Mass 230.079038 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KBB3gHgRgCK
Name 2-Butene-1,1,4-triol, triacetate, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.079038165 u
Formula C10H14O6
InChI InChI=1S/C10H14O6/c1-7(11)14-6-4-5-10(15-8(2)12)16-9(3)13/h4-5,10H,6H2,1-3H3/b5-4+
InChIKey YJUITODYZJOKME-SNAWJCMRSA-N
Molecular Weight 230.216 g/mol
SMILES C(OC(=O)C)(OC(=O)C)\C=C\COC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967563