| SpectraBase Spectrum ID |
EFBRMrLS3zK |
| Name |
Dimethyl 1-(hydroxymethyl)-9-isopropyl-6-methylheptalene-4,5-dicarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O5 |
| InChI |
InChI=1S/C21H24O5/c1-12(2)14-7-6-13(3)18-17(10-14)15(11-22)8-9-16(20(23)25-4)19(18)21(24)26-5/h6-10,12,22H,11H2,1-5H3 |
| InChIKey |
ACVFVCRYFVHIHO-UHFFFAOYSA-N |
| Molecular Weight |
356.418 g/mol |
| SMILES |
OCC1=C2C(C(=C(C=C1)C(=O)OC)C(=O)OC)=C(C=CC(=C2)C(C)C)C |
| SPLASH |
splash10-0a4i-0009000000-7ee75d0857f01f516e64 |
| Source of Spectrum |
H-20-2531-6 |
| Synonyms |
dimethyl 5-(hydroxymethyl)-7-isopropyl-10-methyl-1,2-heptalenedicarboxylate |
| Wiley ID |
1345933 |
