| SpectraBase Spectrum ID |
5wWn2FqOl0k |
| Name |
2-(Hydroxymethyl)-1-(4-methoxyphenyl)cyclopropanecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.094628661 u |
| Formula |
C12H13NO2 |
| InChI |
InChI=1S/C12H13NO2/c1-15-11-4-2-9(3-5-11)12(8-13)6-10(12)7-14/h2-5,10,14H,6-7H2,1H3 |
| InChIKey |
HJXRSAZDERTKIP-UHFFFAOYSA-N |
| Molecular Weight |
203.241 g/mol |
| SMILES |
C1(C(C1)(C=1C=CC(=CC1)OC)C#N)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955857 |
