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(R)-1-(1,3-Benzodioxol-5-yl)-2-chloro-1-ethanol

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

(R)-1-(1,3-Benzodioxol-5-yl)-2-chloro-1-ethanol
SpectraBase Compound ID Jiao0VK4LoX
InChI InChI=1S/C9H9ClO3/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8/h1-3,7,11H,4-5H2/t7-/m0/s1
InChIKey YWPJZZBYTIRESV-ZETCQYMHSA-N
Mol Weight 200.62 g/mol
Molecular Formula C9H9ClO3
Exact Mass 200.024022 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID APIQszmg3qS
Name (R)-1-(1,3-Benzodioxol-5-yl)-2-chloro-1-ethanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.024021847 u
Formula C9H9ClO3
InChI InChI=1S/C9H9ClO3/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8/h1-3,7,11H,4-5H2/t7-/m0/s1
InChIKey YWPJZZBYTIRESV-ZETCQYMHSA-N
Molecular Weight 200.621 g/mol
SMILES [C@](CCl)(O)(C=1C=C2OCOC2=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958205