| SpectraBase Spectrum ID |
1K7HeoeassX |
| Name |
2-hexyl-3-phenyl-cyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester |
| Alternate Name(s) |
dimethyl 2-hexyl-3-phenyl-cyclopent-3-ene-1,1-dicarboxylate
2-hexyl-3-phenylcyclopent-3-ene-1,1-dicarboxylic acid dimethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-4-5-6-10-13-18-17(16-11-8-7-9-12-16)14-15-21(18,19(22)24-2)20(23)25-3/h7-9,11-12,14,18H,4-6,10,13,15H2,1-3H3 |
| InChIKey |
ODYZDVZDQXGLJN-UHFFFAOYSA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
C1(=CCC(C1CCCCCC)(C(=O)OC)C(=O)OC)c1ccccc1 |
| SPLASH |
splash10-0002-0905000000-6b81f40b2a28ef8f2470 |
| Source of Spectrum |
J-67-2846-3 |
| Wiley ID |
1569741 |
