| SpectraBase Spectrum ID |
6nucBfyacMn |
| Name |
Acetonitrile <(3-methoxyphenyl)-> |
| CAS Registry Number |
19924-43-7 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
147.068413913 u |
| Formula |
C9H9NO |
| InChI |
InChI=1S/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3 |
| InChIKey |
LXKNAUOWEJWGTE-UHFFFAOYSA-N |
| Molecular Weight |
147.177 g/mol |
| Number of Peaks |
50 |
| RI1 |
1375 |
| RI2 |
1054 |
| RI3 |
1685 |
| RI4 |
1847 |
| SMILES |
c1(cc(ccc1)CC#N)OC |
| SPLASH |
splash10-0002-6900000000-00dd43fd7b11668a6e62 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Benzeneacetonitrile, 3-methoxy- |
| Wiley ID |
LM_FFNSC3_1898 |
