| SpectraBase Spectrum ID |
B2rkkjRaGD8 |
| Name |
Ethyl trans-2-(4-methoxyphenyl)-1-(1-methyl-1H-indol-5-yl)cyclopropane-1-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.167793602 u |
| Formula |
C22H23NO3 |
| InChI |
InChI=1S/C22H23NO3/c1-4-26-21(24)22(14-19(22)15-5-8-18(25-3)9-6-15)17-7-10-20-16(13-17)11-12-23(20)2/h5-13,19H,4,14H2,1-3H3/t19-,22-/m1/s1 |
| InChIKey |
JSVKFWOOLNUQDJ-DENIHFKCSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02258 |
| Molecular Weight |
349.430 g/mol |
| Optical Rotation |
[a]D20 = -44.9 (c = 1.0, CHCl3). |
| Quality |
239 |
| SMILES |
[C@]1([C@](C1)(C1=CC=C(C=C1)OC)[H])(C1=CC2=C(C=C1)N(C=C2)C)C(OCC)=O |
| SPLASH |
splash10-0uxs-0946000000-e78bcfc14f348fffcb3f |
| Source of Spectrum |
C-144-SM46-trans-3ap (DOI: 10.1021/jacs.2c02258) |
| Wiley ID |
1910672 |
