| SpectraBase Spectrum ID |
7bJ0EYdtV0q |
| Name |
(3A'S,6A'R)-2'-Bromo-2',3',3A',6A'-tetrahydrodispiro[1,3-dioxolane-2,1'-pentalene-4',2''-[1,3]dioxolane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.015371959 u |
| Formula |
C12H15BrO4 |
| InChI |
InChI=1S/C12H15BrO4/c13-10-7-9-8(12(10)16-5-6-17-12)1-2-11(9)14-3-4-15-11/h1-2,8-10H,3-7H2/t8-,9-,10?/m0/s1 |
| InChIKey |
UIDTYLXXRADOFP-XMCUXHSSSA-N |
| Molecular Weight |
303.152 g/mol |
| SMILES |
C12([C@@]3([C@](C4(OCCO4)C=C3)([H])CC1Br)[H])OCCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913351 |
![(3a'S,6a'R)-2'-Bromo-2',3',3a',6a'-tetrahydrodispiro[1,3-dioxolane-2,1'-pentalene-4',2''-[1,3]dioxolane](/api/spectrum/7bJ0EYdtV0q/structure.png?h=300&w=458 "(3a'S,6a'R)-2'-Bromo-2',3',3a',6a'-tetrahydrodispiro[1,3-dioxolane-2,1'-pentalene-4',2''-[1,3]dioxolane")
