| SpectraBase Spectrum ID |
7qdxBFAM3jn |
| Name |
(1S,2S)-2-(3-nitrophenyl)cyclopropane-1-carbonitrile |
| Appearance |
Brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.058577504 u |
| Formula |
C10H8N2O2 |
| InChI |
InChI=1S/C10H8N2O2/c11-6-8-5-10(8)7-2-1-3-9(4-7)12(13)14/h1-4,8,10H,5H2/t8-,10-/m1/s1 |
| InChIKey |
XMSRLAUIRDHMGZ-PSASIEDQSA-N |
| Instrument Name |
Shimadzu GC-2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201810059 |
| Molecular Weight |
188.186 g/mol |
| Quality |
12 |
| SMILES |
C1=CC=C(C=C1[N+]([O-])=O)[C@@]1([C@](C1)(C#N)[H])[H] |
| SPLASH |
splash10-014i-0900000000-e9e2fb640a0e8b0a326d |
| Sample Comments |
>99% de, >99% ee |
| Source of Spectrum |
ACI-57-SM32-3e (DOI: 10.1002/anie.201810059) |
| Wiley ID |
1893623 |
