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1,3-Propanediol, 2-(octadecyloxy)-, monobenzoate, (.+-.)-
SpectraBase Compound ID 2nyq6D0x9ml
InChI InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31-27(24-29)25-32-28(30)26-21-18-17-19-22-26/h17-19,21-22,27,29H,2-16,20,23-25H2,1H3/t27-/m1/s1
InChIKey PWUDDPIKICCMSU-HHHXNRCGSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FW3qXMox71e
Name 1,3-Propanediol, 2-(octadecyloxy)-, monobenzoate, (.+-.)-
CAS Registry Number 82534-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31-27(24-29)25-32-28(30)26-21-18-17-19-22-26/h17-19,21-22,27,29H,2-16,20,23-25H2,1H3/t27-/m1/s1
InChIKey PWUDDPIKICCMSU-HHHXNRCGSA-N
Molecular Weight 448.688 g/mol
SMILES OC[C@](COC(=O)c1ccccc1)(OCCCCCCCCCCCCCCCCCC)[H]
SPLASH splash10-0aor-0900500000-1e1959c6e3a96ab3534a
Source of Spectrum F-39-2216-0
Synonyms (2R)-3-hydroxy-2-(octadecyloxy)propyl benzoate (R,S)2-(1-octadecyloxy)propan-1,3-diol-1-benzoate
Wiley ID 1387327