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Carbonic acid, neopentyl 4-chlorophenyl ester

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Carbonic acid, neopentyl 4-chlorophenyl ester
SpectraBase Compound ID 6OvgldnDpd7
InChI InChI=1S/C12H15ClO3/c1-12(2,3)8-15-11(14)16-10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3
InChIKey NYJHHOFKZJVGJQ-UHFFFAOYSA-N
Mol Weight 242.7 g/mol
Molecular Formula C12H15ClO3
Exact Mass 242.070972 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DURiCOtIHFN
Name Carbonic acid, neopentyl 4-chlorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.070972040 u
Formula C12H15ClO3
InChI InChI=1S/C12H15ClO3/c1-12(2,3)8-15-11(14)16-10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3
InChIKey NYJHHOFKZJVGJQ-UHFFFAOYSA-N
Molecular Weight 242.702 g/mol
SMILES CC(COC(=O)OC1=CC=C(C=C1)Cl)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819805