| SpectraBase Spectrum ID |
FA5B4lxtuxR |
| Name |
(1S,2S,3S)-2-(4-methoxyphenyl)-3-methylcyclopropane-1-carbonitrile |
| Appearance |
Greenish liquid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
187.099714042 u |
| Formula |
C12H13NO |
| InChI |
InChI=1S/C12H13NO/c1-8-11(7-13)12(8)9-3-5-10(14-2)6-4-9/h3-6,8,11-12H,1-2H3/t8-,11+,12-/m1/s1 |
| InChIKey |
YOVRTFLXMIHMFT-JFUSQASVSA-N |
| Instrument Name |
Shimadzu GC-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201810059 |
| Molecular Weight |
187.242 g/mol |
| Quality |
5 |
| SMILES |
C1(=CC=C(C=C1)[C@@]1([C@]([C@]1(C)[H])(C#N)[H])[H])OC |
| SPLASH |
splash10-00di-0900000000-7dbea1bc5aab1cf034a4 |
| Sample Comments |
17% de, 46% ee |
| Source of Spectrum |
ACI-57-SM35-3o (DOI: 10.1002/anie.201810059) |
| Wiley ID |
1893633 |
