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 |