| SpectraBase Spectrum ID |
LA6VW4553Gp |
| Name |
(1S,2S)-2-(4-methoxyphenyl)cyclopropane-1-carbonitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
173.084063977 u |
| Formula |
C11H11NO |
| InChI |
InChI=1S/C11H11NO/c1-13-10-4-2-8(3-5-10)11-6-9(11)7-12/h2-5,9,11H,6H2,1H3/t9-,11-/m1/s1 |
| InChIKey |
CHVRMAGICVCWMS-MWLCHTKSSA-N |
| Instrument Name |
Shimadzu GC-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201810059 |
| Molecular Weight |
173.215 g/mol |
| Quality |
42 |
| SMILES |
C1(=CC=C(C=C1)[C@@]1([C@](C1)(C#N)[H])[H])OC |
| SPLASH |
splash10-00fr-0900000000-29ed74452e248dff0453 |
| Sample Comments |
98% de, 97% ee |
| Source of Spectrum |
ACI-57-SM32-3f (DOI: 10.1002/anie.201810059) |
| Wiley ID |
1893624 |
