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3-Chloro-1-(4-pivaloxyphenyl)-1-propene

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

3-Chloro-1-(4-pivaloxyphenyl)-1-propene
SpectraBase Compound ID UfI1xbKu28
InChI InChI=1S/C14H17ClO2/c1-14(2,3)13(16)17-12-8-6-11(7-9-12)5-4-10-15/h4-9H,10H2,1-3H3/b5-4+
InChIKey NKWJKQBXHCMGNX-SNAWJCMRSA-N
Mol Weight 252.74 g/mol
Molecular Formula C14H17ClO2
Exact Mass 252.091707 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6RHb3XQZQQC
Name 3-Chloro-1-(4-pivaloxyphenyl)-1-propene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.091707485 u
Formula C14H17ClO2
InChI InChI=1S/C14H17ClO2/c1-14(2,3)13(16)17-12-8-6-11(7-9-12)5-4-10-15/h4-9H,10H2,1-3H3/b5-4+
InChIKey NKWJKQBXHCMGNX-SNAWJCMRSA-N
Molecular Weight 252.741 g/mol
SMILES C(OC=1C=CC(\C=C\CCl)=CC1)(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911356