| SpectraBase Spectrum ID |
97C0ZmJCMic |
| Name |
Benzoic acid, 4-(decyloxy)-, 4-(2-methoxypropoxy)phenyl ester, (S)- |
| Alternate Name(s) |
4-{[(2S)-2-methoxypropyl]oxy}phenyl 4-(decyloxy)benzoate |
| CAS Registry Number |
103239-89-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H38O5 |
| InChI |
InChI=1S/C27H38O5/c1-4-5-6-7-8-9-10-11-20-30-24-14-12-23(13-15-24)27(28)32-26-18-16-25(17-19-26)31-21-22(2)29-3/h12-19,22H,4-11,20-21H2,1-3H3/t22-/m0/s1 |
| InChIKey |
BTFNSQHNLKJTIE-QFIPXVFZSA-N |
| Molecular Weight |
442.596 g/mol |
| SMILES |
C(Oc1ccc(OC[C@@](OC)(C)[H])cc1)(c1ccc(cc1)OCCCCCCCCCC)=O |
| SPLASH |
splash10-03di-0090100000-0a3f35efc1c02b5b3d31 |
| Source of Spectrum |
C-108-5220-0 |
| Wiley ID |
1385448 |
