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Isobutyl 2-Chloro-2-(1-hydroxy-3-phenylpropyl)dodecanoate

View entire compound with spectra: 1 MS (GC)

Isobutyl 2-Chloro-2-(1-hydroxy-3-phenylpropyl)dodecanoate
SpectraBase Compound ID BKjzIW5aSGa
InChI InChI=1S/C25H41ClO3/c1-4-5-6-7-8-9-10-14-19-25(26,24(28)29-20-21(2)3)23(27)18-17-22-15-12-11-13-16-22/h11-13,15-16,21,23,27H,4-10,14,17-20H2,1-3H3
InChIKey XUHIEFSKUZQRPD-UHFFFAOYSA-N
Mol Weight 425.1 g/mol
Molecular Formula C25H41ClO3
Exact Mass 424.274423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nHf5G8oNNk
Name Isobutyl 2-Chloro-2-(1-hydroxy-3-phenylpropyl)dodecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H41ClO3
InChI InChI=1S/C25H41ClO3/c1-4-5-6-7-8-9-10-14-19-25(26,24(28)29-20-21(2)3)23(27)18-17-22-15-12-11-13-16-22/h11-13,15-16,21,23,27H,4-10,14,17-20H2,1-3H3
InChIKey XUHIEFSKUZQRPD-UHFFFAOYSA-N
Molecular Weight 425.053 g/mol
SMILES OC(C(C(OCC(C)C)=O)(Cl)CCCCCCCCCC)CCc1ccccc1
SPLASH splash10-0006-9000000000-8e45bdf67e8de3d52a05
Source of Spectrum F-50-4968-29
Wiley ID 1379377