| SpectraBase Spectrum ID |
42brq5Gj0zs |
| Name |
(S)-4-(2-hydroxypropyl)benzonitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
161.084063977 u |
| Formula |
C10H11NO |
| InChI |
InChI=1S/C10H11NO/c1-8(12)6-9-2-4-10(7-11)5-3-9/h2-5,8,12H,6H2,1H3/t8-/m0/s1 |
| InChIKey |
CGESNERMXNICBS-QMMMGPOBSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202214377 |
| Molecular Weight |
161.204 g/mol |
| Optical Rotation |
[a]D20 = -11.8 (c = 1.32, CHCl3) |
| Quality |
75 |
| Reported Formula |
C10H11ON |
| SMILES |
O[C@](CC=1C=CC(=CC1)C#N)(C)[H] |
| SPLASH |
splash10-014i-2900000000-d0bb59f22cd1b02020e6 |
| Source of Spectrum |
ACI-62-SM24-(S)-7f (DOI: 10.1002/anie.202214377) |
| Wiley ID |
1908254 |
