| SpectraBase Spectrum ID |
BMwRmbSAGMj |
| Name |
Benzoic acid (3aR,4aS,5R,7S,8aR,8bS)-2,2,7-trimethyl-octahydro-benzo[4,5]furo[2,3-d][1,3]dioxol-5-yl ester |
| Alternate Name(s) |
Phenyl-((1S,4R,4aR,7S,8aS,8bR)-2,2,7-trimethyl-octahydro-benzo[4,5]furo[2,3-d][1,3]dioxol-5-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/c1-11-9-13-15(22-18-16(13)23-19(2,3)24-18)14(10-11)21-17(20)12-7-5-4-6-8-12/h4-8,11,13-16,18H,9-10H2,1-3H3/t11-,13+,14+,15-,16-,18+/m0/s1 |
| InChIKey |
CZYRICFINOTDOZ-DKMJVNGRSA-N |
| Molecular Weight |
332.396 g/mol |
| SMILES |
[C@@]12(O[C@@]3([C@](OC(=O)c4ccccc4)(C[C@](C[C@]3([C@@]1(OC(O2)(C)C)[H])[H])(C)[H])[H])[H])[H] |
| SPLASH |
splash10-0a4i-0902000000-d2fed26ff2d6fc81d5b5 |
| Source of Spectrum |
J-57-406-(7S)-15 |
| Wiley ID |
1329496 |
![Benzoic acid (3aR,4aS,5R,7S,8aR,8bS)-2,2,7-trimethyl-octahydro-benzo[4,5]furo[2,3-d][1,3]dioxol-5-yl ester](/api/spectrum/BMwRmbSAGMj/structure.png?h=300&w=458 "Benzoic acid (3aR,4aS,5R,7S,8aR,8bS)-2,2,7-trimethyl-octahydro-benzo[4,5]furo[2,3-d][1,3]dioxol-5-yl ester")
