| SpectraBase Spectrum ID |
8yQwpGSBooG |
| Name |
BUTURON 1 |
| CAS Registry Number |
3766-60-7 |
| 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 |
236.071640746 u |
| Formula |
C12H13ClN2O |
| InChI |
InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16) |
| InChIKey |
BYYMILHAKOURNM-UHFFFAOYSA-N |
| Molecular Weight |
236.702 g/mol |
| Nominal Mass |
236 u |
| Number of Peaks |
81 |
| SMILES |
N(c1ccc(cc1)Cl)C(N(C)C(C#C)C)=O |
| SPLASH |
splash10-0udi-9310000000-622da7d7e8cb40ec984b |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
(RS)-3-(4-chlorophenyl)-1-methyl-1-(1-methylprop-2-ynyl)urea
N'-(4-chlorophenyl)-N-methyl-N-(1-methyl-2-propynyl)urea |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3311 |
