| SpectraBase Spectrum ID |
IKVQNhnayUO |
| Name |
2-(2-benzylbuta-2,3-dienyl)malonic acid dimethyl ester |
| Alternate Name(s) |
2-[2-(phenylmethyl)buta-2,3-dienyl]propanedioic acid dimethyl ester
dimethyl 2-(2-benzylbuta-2,3-dienyl)propanedioate
dimethyl 2-[2-(phenylmethyl)buta-2,3-dienyl]propanedioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O4 |
| InChI |
InChI=1S/C16H18O4/c1-4-12(10-13-8-6-5-7-9-13)11-14(15(17)19-2)16(18)20-3/h5-9,14H,1,10-11H2,2-3H3 |
| InChIKey |
PWHAHEBKTYIMNS-UHFFFAOYSA-N |
| Molecular Weight |
274.316 g/mol |
| SMILES |
C(C(=O)OC)(C(=O)OC)CC(=C=C)Cc1ccccc1 |
| SPLASH |
splash10-0006-0900000000-1d4db471709a9a58c746 |
| Source of Spectrum |
J-67-2842-1 |
| Wiley ID |
1569629 |
