| SpectraBase Spectrum ID |
2X0n3pCfPcx |
| Name |
BARBANE |
| CAS Registry Number |
101-27-9 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
257.001033932 u |
| Formula |
C11H9Cl2NO2 |
| InChI |
InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15) |
| InChIKey |
MCOQHIWZJUDQIC-UHFFFAOYSA-N |
| Molecular Weight |
258.104 g/mol |
| Nominal Mass |
257 u |
| Number of Peaks |
80 |
| SMILES |
N(c1cccc(c1)Cl)C(=O)OCC#CCCl |
| SPLASH |
splash10-0udi-9720000000-0d04f29344a6b22bb436 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
4-chloro-2-butynyl 3-chlorophenylcarbamate |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3567 |
