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1-Acetoxy-2,3,5-trimethyl-4-(2,3-diacetoxypropyloxy)benzene

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

1-Acetoxy-2,3,5-trimethyl-4-(2,3-diacetoxypropyloxy)benzene
SpectraBase Compound ID 46CxKaI2WRK
InChI InChI=1S/C18H24O7/c1-10-7-17(25-15(6)21)11(2)12(3)18(10)23-9-16(24-14(5)20)8-22-13(4)19/h7,16H,8-9H2,1-6H3
InChIKey KLKATJMFMXGMTN-UHFFFAOYSA-N
Mol Weight 352.38 g/mol
Molecular Formula C18H24O7
Exact Mass 352.152203 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HdZezEfyNo5
Name 1-Acetoxy-2,3,5-trimethyl-4-(2,3-diacetoxypropyloxy)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.152203106 u
Formula C18H24O7
InChI InChI=1S/C18H24O7/c1-10-7-17(25-15(6)21)11(2)12(3)18(10)23-9-16(24-14(5)20)8-22-13(4)19/h7,16H,8-9H2,1-6H3
InChIKey KLKATJMFMXGMTN-UHFFFAOYSA-N
Molecular Weight 352.383 g/mol
SMILES CC1=C(C(C)=CC(=C1C)OC(C)=O)OCC(COC(=O)C)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958463