| SpectraBase Spectrum ID |
I59E2NDosvp |
| Name |
1,2-Benzenedicarboxylic acid, mono[(1,4-dimethyl-2,4,6-cycloheptatrien-1-yl)methyl]ester, (+)- |
| CAS Registry Number |
81205-81-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18O4 |
| InChI |
InChI=1S/C18H18O4/c1-13-6-5-10-18(2,11-9-13)12-22-17(21)15-8-4-3-7-14(15)16(19)20/h3-11H,12H2,1-2H3,(H,19,20) |
| InChIKey |
LXAMGRUQNBSJQA-UHFFFAOYSA-N |
| Molecular Weight |
298.338 g/mol |
| SMILES |
OC(c1c(C(OCC2(C=CC(C)=CC=C2)C)=O)cccc1)=O |
| SPLASH |
splash10-0159-1900000000-2d9fb45c34f3afbd9911 |
| Source of Spectrum |
C-104-2864-0 |
| Synonyms |
2-{[(1,4-dimethyl-2,4,6-cycloheptatrien-1-yl)methoxy]carbonyl}benzoic acid
3,7-Dimethylcyclohepta-1,3,5-triene-7-methyl hydrogen phthalate |
| Wiley ID |
1301079 |
![1,2-Benzenedicarboxylic acid, mono[(1,4-dimethyl-2,4,6-cycloheptatrien-1-yl)methyl]ester, (+)-](/api/spectrum/I59E2NDosvp/structure.png?h=300&w=458 "1,2-Benzenedicarboxylic acid, mono[(1,4-dimethyl-2,4,6-cycloheptatrien-1-yl)methyl]ester, (+)-")
