| SpectraBase Spectrum ID |
QsXY3YtLEp |
| Name |
1-(Acetyloxy)-4,7-dimethyl-perhydro-(5'-acetylfurano)[8,8A-B]isobenzopyran-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.157288487 u |
| Formula |
C17H24O6 |
| InChI |
InChI=1S/C17H24O6/c1-8-5-6-12-9(2)15(20)22-16(21-11(4)19)17(12)13(8)7-14(23-17)10(3)18/h8-9,12-14,16H,5-7H2,1-4H3/t8-,9-,12+,13+,14-,16+,17+/m1/s1 |
| InChIKey |
RCPVKLPNBIXCIS-RPCWPZOOSA-N |
| Molecular Weight |
324.373 g/mol |
| SMILES |
[C@@]123[C@](OC([C@@]([C@@]3(CC[C@]([C@@]1(C[C@@](O2)(C(=O)C)[H])[H])(C)[H])[H])(C)[H])=O)(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817641 |
![1-(Acetyloxy)-4,7-dimethyl-perhydro-(5'-acetylfurano)[8,8a-b]isobenzopyran-3-one](/api/spectrum/QsXY3YtLEp/structure.png?h=300&w=458 "1-(Acetyloxy)-4,7-dimethyl-perhydro-(5'-acetylfurano)[8,8a-b]isobenzopyran-3-one")
