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Benzyl (R)-3-hydroxy-2-(3,8,8,11,14,18-hexamethylnonadecyloxy)propanoate
SpectraBase Compound ID FEBCjaXkHUF
InChI InChI=1S/C35H62O4/c1-28(2)14-13-16-29(3)19-20-31(5)21-24-35(6,7)23-12-11-15-30(4)22-25-38-33(26-36)34(37)39-27-32-17-9-8-10-18-32/h8-10,17-18,28-31,33,36H,11-16,19-27H2,1-7H3/t29?,30?,31?,33-/m1/s1
InChIKey PUERMZWQMNENMD-WGOZRTILSA-N
Mol Weight 546.9 g/mol
Molecular Formula C35H62O4
Exact Mass 546.46481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8JlHbbYu6z
Name Benzyl (R)-3-hydroxy-2-(3,8,8,11,14,18-hexamethylnonadecyloxy)propanoate
Alternate Name(s) benzyl (2R)-2-[(3,8,8,11,14,18-hexamethylnonadecyl)oxy]-3-hydroxypropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H62O4
InChI InChI=1S/C35H62O4/c1-28(2)14-13-16-29(3)19-20-31(5)21-24-35(6,7)23-12-11-15-30(4)22-25-38-33(26-36)34(37)39-27-32-17-9-8-10-18-32/h8-10,17-18,28-31,33,36H,11-16,19-27H2,1-7H3/t29?,30?,31?,33-/m1/s1
InChIKey PUERMZWQMNENMD-WGOZRTILSA-N
Molecular Weight 546.877 g/mol
SMILES OC[C@](C(OCc1ccccc1)=O)(OCCC(CCCCC(CCC(CCC(CCCC(C)C)C)C)(C)C)C)[H]
SPLASH splash10-052f-9100000000-11f31d68a81338003524
Source of Spectrum F-50-2044-9
Wiley ID 1405319