| SpectraBase Spectrum ID |
D5w5a6ZnCoG |
| Name |
Dimethyl ester of (3-methyleencycloheptyl)propanedioic acid |
| CAS Registry Number |
70562-54-8 |
| Comments |
Edited after expert review for CCl4 contamination - Original record with SpectrumID 1242836 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O4 |
| InChI |
InChI=1S/C13H20O4/c1-9-6-4-5-7-10(8-9)11(12(14)16-2)13(15)17-3/h10-11H,1,4-8H2,2-3H3 |
| InChIKey |
AFXPRTKDCYOKAT-UHFFFAOYSA-N |
| Molecular Weight |
240.299 g/mol |
| SMILES |
C(C1CC(=C)CCCC1)(C(=O)OC)C(=O)OC |
| SPLASH |
splash10-0536-9300000000-54b63569380bd29c4b5d |
| Source of Spectrum |
J-44-2822-0 |
| Synonyms |
Dimethyl 2-(3-methylenecycloheptyl)malonate |
| Wiley ID |
1821458 |
