SpectraBase Spectrum ID |
AMrjH5txrxv |
Name |
(3R)-3-Methylhexadecanedioic acid bis(phenylmethyl) ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
480.323959893 u |
Formula |
C31H44O4 |
InChI |
InChI=1S/C31H44O4/c1-27(24-31(33)35-26-29-21-15-11-16-22-29)18-12-8-6-4-2-3-5-7-9-17-23-30(32)34-25-28-19-13-10-14-20-28/h10-11,13-16,19-22,27H,2-9,12,17-18,23-26H2,1H3/t27-/m1/s1 |
InChIKey |
MDODCGHFEWJYTF-HHHXNRCGSA-N |
Molecular Weight |
480.689 g/mol |
SMILES |
C(=O)(OCC=1C=CC=CC1)C[C@@](CCCCCCCCCCCCC(=O)OCC=1C=CC=CC1)(C)[H] |