| SpectraBase Spectrum ID |
5TfLPBUjNOP |
| Name |
2-(6-Dodecoxy-2-naphthalenyl)acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.256214686 u |
| Formula |
C24H33NO |
| InChI |
InChI=1S/C24H33NO/c1-2-3-4-5-6-7-8-9-10-11-18-26-24-15-14-22-19-21(16-17-25)12-13-23(22)20-24/h12-15,19-20H,2-11,16,18H2,1H3 |
| InChIKey |
CDLMGYZWIONHKH-UHFFFAOYSA-N |
| Molecular Weight |
351.534 g/mol |
| SMILES |
C=1C(=CC=C2C=C(C=CC12)CC#N)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847638 |
