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(S)-1-Chloro-3-[4-(2-cyclopropylmethoxy)ethyl]phenoxypropan-2-yl acetate

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

(S)-1-Chloro-3-[4-(2-cyclopropylmethoxy)ethyl]phenoxypropan-2-yl acetate
SpectraBase Compound ID 4oaNrVMQici
InChI InChI=1S/C17H23ClO4/c1-13(19)22-17(10-18)12-21-16-6-4-14(5-7-16)8-9-20-11-15-2-3-15/h4-7,15,17H,2-3,8-12H2,1H3/t17-/m1/s1
InChIKey RYODUZRDXDKFFN-QGZVFWFLSA-N
Mol Weight 326.82 g/mol
Molecular Formula C17H23ClO4
Exact Mass 326.128487 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4EZThxtZkLZ
Name (S)-1-Chloro-3-[4-(2-cyclopropylmethoxy)ethyl]phenoxypropan-2-yl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.128486917 u
Formula C17H23ClO4
InChI InChI=1S/C17H23ClO4/c1-13(19)22-17(10-18)12-21-16-6-4-14(5-7-16)8-9-20-11-15-2-3-15/h4-7,15,17H,2-3,8-12H2,1H3/t17-/m1/s1
InChIKey RYODUZRDXDKFFN-QGZVFWFLSA-N
Molecular Weight 326.820 g/mol
SMILES C(O[C@@](COC1=CC=C(C=C1)CCOCC1CC1)(CCl)[H])(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960858