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A-Isopropyl-benzeneethanol acetate

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

A-Isopropyl-benzeneethanol acetate
SpectraBase Compound ID AegS71eRzvK
InChI InChI=1S/C13H18O2/c1-10(2)13(15-11(3)14)9-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3
InChIKey OOYSHHTYKLXILA-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FTJdosYrhD7
Name alpha-Isopropyl-benzeneethanol acetate; benzeneethanol, alpha-(1-methylethyl)-, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-10(2)13(15-11(3)14)9-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3
InChIKey OOYSHHTYKLXILA-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C1(=CC=CC=C1)CC(C(C)C)OC(C)=O
Spectrum/Structure Validation Score (Raman) 0.971654