| SpectraBase Spectrum ID |
5bArF7DTwzu |
| Name |
[(3aR,4S,5S,7aS)-4-(Benzoyloxy)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] - Benzoate |
| Alternate Name(s) |
(3aR,4S,5S,7aS)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole-4,5-diyl dibenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H21IO6 |
| InChI |
InChI=1S/C23H21IO6/c1-23(2)29-18-16(24)13-17(27-21(25)14-9-5-3-6-10-14)19(20(18)30-23)28-22(26)15-11-7-4-8-12-15/h3-13,17-20H,1-2H3/t17-,18+,19-,20-/m0/s1 |
| InChIKey |
AKCARQFXZHJCQM-YRPNKDGESA-N |
| Molecular Weight |
520.319 g/mol |
| SMILES |
[C@]12([C@@](C(I)=C[C@@]([C@@]2(OC(=O)c2ccccc2)[H])(OC(=O)c2ccccc2)[H])(OC(O1)(C)C)[H])[H] |
| SPLASH |
splash10-0a4i-3901000000-1abfb5d284cb18d6781f |
| Source of Spectrum |
F5-3-1962-36 |
| Wiley ID |
1732317 |
![[(3aR,4S,5S,7aS)-4-(Benzoyloxy)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] - Benzoate](/api/spectrum/5bArF7DTwzu/structure.png?h=300&w=458 "[(3aR,4S,5S,7aS)-4-(Benzoyloxy)-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl] - Benzoate")
