| SpectraBase Spectrum ID |
GikiBjKtzss |
| Name |
methyl 2-(2-(4-methoxyphenyl)-2-(1-methyl-1H-indol-3-yl)ethyl)hexanoate |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.230393859 u |
| Formula |
C25H31NO3 |
| InChI |
InChI=1S/C25H31NO3/c1-5-6-9-19(25(27)29-4)16-22(18-12-14-20(28-3)15-13-18)23-17-26(2)24-11-8-7-10-21(23)24/h7-8,10-15,17,19,22H,5-6,9,16H2,1-4H3 |
| InChIKey |
LTRBVWHLOHUMCO-UHFFFAOYSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201511624 |
| Molecular Weight |
393.527 g/mol |
| Reported Formula |
C25H31NO3 |
| SMILES |
COC(C(CCCC)CC(C1=CN(C2=C1C=CC=C2)C)C1=CC=C(C=C1)OC)=O |
| SPLASH |
splash10-0udi-0091000000-38e6a97f61e9082117e5 |
| Sample Comments |
dr = 1:1 |
| Source of Spectrum |
ACI-55-SM23-18 (DOI: 10.1002/anie.201511624) |
| Wiley ID |
1895430 |
