| SpectraBase Spectrum ID |
ECiyPz5dIn |
| Name |
Benzoic acid (3aR,3bR,8R,8aS,9aR)-2,2-dimethyl-octahydro-1,3,9-trioxa-cyclopenta[a]azulen-8-yl ester |
| Alternate Name(s) |
Phenyl ((3aR,3bR,8R,8aS,9aR)-2,2-Dimethyl-octahydro-1,3,9-trioxa-cyclopenta[a]azulen-8-yloxy) methanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H24O5 |
| InChI |
InChI=1S/C19H24O5/c1-19(2)23-16-13-10-6-7-11-14(15(13)22-18(16)24-19)21-17(20)12-8-4-3-5-9-12/h3-5,8-9,13-16,18H,6-7,10-11H2,1-2H3/t13-,14-,15+,16-,18-/m1/s1 |
| InChIKey |
ZJCNLNPWQUOTLM-XLKGFZLASA-N |
| Molecular Weight |
332.396 g/mol |
| SMILES |
[C@@]12(O[C@@]3([C@](OC(=O)c4ccccc4)(CCCC[C@]3([C@]1(OC(O2)(C)C)[H])[H])[H])[H])[H] |
| SPLASH |
splash10-0a4i-0900000000-8910e18e6fccd5b99d75 |
| Source of Spectrum |
J-57-406-16 |
| Wiley ID |
1329495 |
![Benzoic acid (3aR,3bR,8R,8aS,9aR)-2,2-dimethyl-octahydro-1,3,9-trioxa-cyclopenta[a]azulen-8-yl ester](/api/spectrum/ECiyPz5dIn/structure.png?h=300&w=458 "Benzoic acid (3aR,3bR,8R,8aS,9aR)-2,2-dimethyl-octahydro-1,3,9-trioxa-cyclopenta[a]azulen-8-yl ester")
