| SpectraBase Spectrum ID |
2ATP3saL3Pm |
| Name |
12H-1,11-Methenodibenzo[1,2:4,5]dicycloheptene-6,13-dicarboxylic acid, 11a,12a-dihydro-, dimethyl ester |
| Alternate Name(s) |
7,14-Dicarbomethoxy-1,6
7,14-Dicarbomethoxy-1,6;8,13-propanediylidene[14]annulene
8,13-Propanediylidene[14]annulene
dimethyl tetracyclo[11.3.1.0(6,16).0(8,14)]heptadeca-1,3,5,7,9,11,13(17)-heptaene-7,17-dicarboxylate |
| CAS Registry Number |
109123-96-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H18O4 |
| InChI |
InChI=1S/C21H18O4/c1-24-20(22)18-12-7-3-5-9-14-16(12)11-17-13(18)8-4-6-10-15(17)19(14)21(23)25-2/h3-10,16-17H,11H2,1-2H3/t16-,17+ |
| InChIKey |
BPVVZUZAUUGOLU-CALCHBBNSA-N |
| Molecular Weight |
334.371 g/mol |
| SMILES |
C=12C(=C3C=CC=CC=4[C@]3(C[C@]2(C(C4C(=O)OC)=CC=CC1)[H])[H])C(=O)OC |
| SPLASH |
splash10-014i-0093000000-a525a0f780af77219dc6 |
| Source of Spectrum |
C-109-5002-24 |
| Wiley ID |
1331186 |
![12H-1,11-Methenodibenzo[1,2:4,5]dicycloheptene-6,13-dicarboxylic acid, 11a,12a-dihydro-, dimethyl ester](/api/spectrum/2ATP3saL3Pm/structure.png?h=300&w=458 "12H-1,11-Methenodibenzo[1,2:4,5]dicycloheptene-6,13-dicarboxylic acid, 11a,12a-dihydro-, dimethyl ester")
