| SpectraBase Spectrum ID |
CITBYFETMnx |
| Name |
Benzoic acid, 4-(dodecyloxy)-, 4-(2-propoxypropoxy)phenyl ester, (S)- |
| Alternate Name(s) |
4-{[(2S)-2-propoxypropyl]oxy}phenyl 4-(dodecyloxy)benzoate |
| CAS Registry Number |
103239-96-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H46O5 |
| InChI |
InChI=1S/C31H46O5/c1-4-6-7-8-9-10-11-12-13-14-24-34-28-17-15-27(16-18-28)31(32)36-30-21-19-29(20-22-30)35-25-26(3)33-23-5-2/h15-22,26H,4-14,23-25H2,1-3H3/t26-/m0/s1 |
| InChIKey |
OGPVOGHLHJXEEJ-SANMLTNESA-N |
| Molecular Weight |
498.704 g/mol |
| SMILES |
C(Oc1ccc(OC[C@@](OCCC)(C)[H])cc1)(c1ccc(cc1)OCCCCCCCCCCCC)=O |
| SPLASH |
splash10-0006-0090300000-e5d18e8224d0b1588f9f |
| Source of Spectrum |
C-108-5221-0 |
| Wiley ID |
1398627 |
