| SpectraBase Spectrum ID |
61Ok8dVLKp6 |
| Name |
(S)-1-Benzyl-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.172878983 u |
| Formula |
C25H23NO2 |
| InChI |
InChI=1S/C25H23NO2/c1-18(20-12-14-21(28-2)15-13-20)25-23(17-27)22-10-6-7-11-24(22)26(25)16-19-8-4-3-5-9-19/h3-15,17-18H,16H2,1-2H3/t18-/m0/s1 |
| InChIKey |
CCKSVZGCXBERAM-SFHVURJKSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201709075 |
| Molecular Weight |
369.464 g/mol |
| Optical Rotation |
[a]D23 = -54.9 (c = 1.74, CHCl3) |
| Quality |
76 |
| Reported Formula |
C25H23NO2 |
| SMILES |
C1=CC2=C(C=C1)N(C(=C2C=O)[C@@](C)(C1=CC=C(C=C1)OC)[H])CC1=CC=CC=C1 |
| SPLASH |
splash10-00kg-8729000000-5073ef561a56111a3e92 |
| Sample Comments |
er = 92:8 |
| Source of Spectrum |
ACI-56-SM53-5a (DOI: 10.1002/anie.201709075) |
| Wiley ID |
1896491 |
![(S)-1-Benzyl-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde](/api/spectrum/61Ok8dVLKp6/structure.png?h=300&w=458 "(S)-1-Benzyl-2-[1-(4-methoxyphenyl)ethyl]-1H-indole-3-carbaldehyde")
