| SpectraBase Spectrum ID |
4yVx5pSY3gf |
| Name |
Propanedioic-2-13C acid, 2-(acetylamino)-2-(4-chloro-2-butenyl)-, diethyl ester, (Z)- |
| Alternate Name(s) |
diethyl 2-(acetylamino)-2-[(2Z)-4-chloro-2-butenyl]malonate
Ethyl 2-acetamido-2-carbethoxy-6-chloro(Z)-4-hexenoate |
| CAS Registry Number |
83232-02-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20ClNO5 |
| InChI |
InChI=1S/C13H20ClNO5/c1-4-19-11(17)13(15-10(3)16,8-6-7-9-14)12(18)20-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,15,16)/b7-6- |
| InChIKey |
ZXQQPSLONIMMJT-SREVYHEPSA-N |
| Molecular Weight |
305.758 g/mol |
| SMILES |
N(C(C(=O)OCC)(C(=O)OCC)C\C=C/CCl)C(=O)C |
| SPLASH |
splash10-00di-0980000000-edba1d1d7edc842023f9 |
| Source of Spectrum |
C-104-6443-0 |
| Wiley ID |
1307155 |
