| SpectraBase Spectrum ID |
DKklHSxBpVG |
| Name |
Benzoic acid, 4-(undecyloxy)-, 4-(2-methoxypropoxy)phenyl ester, (S)- |
| Alternate Name(s) |
4-{[(2S)-2-methoxypropyl]oxy}phenyl 4-(undecyloxy)benzoate |
| CAS Registry Number |
103239-91-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H40O5 |
| InChI |
InChI=1S/C28H40O5/c1-4-5-6-7-8-9-10-11-12-21-31-25-15-13-24(14-16-25)28(29)33-27-19-17-26(18-20-27)32-22-23(2)30-3/h13-20,23H,4-12,21-22H2,1-3H3/t23-/m0/s1 |
| InChIKey |
ATHPWLCSALSFAM-QHCPKHFHSA-N |
| Molecular Weight |
456.623 g/mol |
| SMILES |
C(Oc1ccc(OC[C@@](OC)(C)[H])cc1)(c1ccc(cc1)OCCCCCCCCCCC)=O |
| SPLASH |
splash10-004i-0090100000-23d3aa0b992210105835 |
| Source of Spectrum |
C-108-5220-0 |
| Wiley ID |
1389408 |
