| SpectraBase Spectrum ID |
48wvOZqoxU |
| Name |
(S,E)-Methyl 3-{1-Benzyl-3-formyl-2-[1-(4-methoxyphenyl)ethyl]-1H-indol-4-yl}acrylate |
| Appearance |
Yellow foam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.194008349 u |
| Formula |
C29H27NO4 |
| InChI |
InChI=1S/C29H27NO4/c1-20(22-12-15-24(33-2)16-13-22)29-25(19-31)28-23(14-17-27(32)34-3)10-7-11-26(28)30(29)18-21-8-5-4-6-9-21/h4-17,19-20H,18H2,1-3H3/b17-14+/t20-/m0/s1 |
| InChIKey |
HGMVZCVUSWPRDC-QMEWPPBRSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201709075 |
| Molecular Weight |
453.538 g/mol |
| Optical Rotation |
[a]D23 = -93.8 (c = 0.53, CHCl3) |
| Quality |
91 |
| Reported Formula |
C29H27NO4 |
| SMILES |
C1(=CC=CC2=C1C(=C(N2CC1=CC=CC=C1)[C@@](C)(C=1C=CC(=CC1)OC)[H])C=O)\C=C\C(OC)=O |
| SPLASH |
splash10-0006-5409300000-986ab8f708c7602e4f92 |
| Sample Comments |
er = 89:11 |
| Source of Spectrum |
ACI-56-SM115-8a (DOI: 10.1002/anie.201709075) |
| Wiley ID |
1896502 |
![(S,E)-Methyl 3-{1-Benzyl-3-formyl-2-[1-(4-methoxyphenyl)ethyl]-1H-indol-4-yl}acrylate](/api/spectrum/48wvOZqoxU/structure.png?h=300&w=458 "(S,E)-Methyl 3-{1-Benzyl-3-formyl-2-[1-(4-methoxyphenyl)ethyl]-1H-indol-4-yl}acrylate")
