| SpectraBase Spectrum ID |
8TyN2huLuV1 |
| Name |
ethyl 4-[(1S)-4-(4-methoxyphenyl)-1-methyl-butyl]benzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O3 |
| InChI |
InChI=1S/C21H26O3/c1-4-24-21(22)19-12-10-18(11-13-19)16(2)6-5-7-17-8-14-20(23-3)15-9-17/h8-16H,4-7H2,1-3H3/t16-/m0/s1 |
| InChIKey |
GDYTWNRIEORJOV-INIZCTEOSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201910397 |
| Molecular Weight |
326.436 g/mol |
| Optical Rotation |
[a]D20 = +6.4 (c = 0.5, CHCl3) |
| Reported Formula |
C21H26O3 |
| SMILES |
C([C@@](c1ccc(cc1)C(OCC)=O)(C)[H])CCc1ccc(cc1)OC |
| SPLASH |
splash10-05fr-9200000000-a8fb609e22113c852561 |
| Sample Comments |
er = 83:17 |
| Source of Spectrum |
ACI-59-SM43-(S)-6p |
| Wiley ID |
1856747 |
![ethyl 4-[(1S)-4-(4-methoxyphenyl)-1-methyl-butyl]benzoate](/api/spectrum/8TyN2huLuV1/structure.png?h=300&w=458 "ethyl 4-[(1S)-4-(4-methoxyphenyl)-1-methyl-butyl]benzoate")
