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Methyl salicylate, o-isopropyloxycarbonyl-

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Methyl salicylate, o-isopropyloxycarbonyl-
SpectraBase Compound ID 5F3Brwk116
InChI InChI=1S/C12H14O5/c1-8(2)16-12(14)17-10-7-5-4-6-9(10)11(13)15-3/h4-8H,1-3H3
InChIKey XTBIVSUYSIJZNY-UHFFFAOYSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 35mG5SzyPtL
Name Methyl salicylate, o-isopropyloxycarbonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.084123546 u
Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-8(2)16-12(14)17-10-7-5-4-6-9(10)11(13)15-3/h4-8H,1-3H3
InChIKey XTBIVSUYSIJZNY-UHFFFAOYSA-N
Molecular Weight 238.239 g/mol
SMILES C1(=CC=CC=C1C(=O)OC)OC(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907732