| SpectraBase Spectrum ID |
6f7RMq5KwY1 |
| Name |
2-Butenedioic acid, 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-, dimethyl ester |
| CAS Registry Number |
72163-17-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-16(2)12-6-5-10(13(16)9-12)7-11(15(18)20-4)8-14(17)19-3/h5,8,12-13H,6-7,9H2,1-4H3/b11-8- |
| InChIKey |
RXTOFNWCKMRXBO-FLIBITNWSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C12C(C\C(=C\C(=O)OC)C(=O)OC)=CCC(C2)C1(C)C |
| SPLASH |
splash10-0udi-0090000000-47248b039e2c12bad0e4 |
| Source of Spectrum |
I-59-298-0 |
| Synonyms |
dimethyl (2Z)-2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-2-butenedioate
Dimethyl 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-3-yl)methyl]but-2-ene-1,4-dicarboxylic acid |
| Wiley ID |
1282049 |
![2-Butenedioic acid, 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-, dimethyl ester](/api/spectrum/6f7RMq5KwY1/structure.png?h=300&w=458 "2-Butenedioic acid, 2-[(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-, dimethyl ester")
