| SpectraBase Spectrum ID |
LsYk7WZThpv |
| Name |
2H-Pyran-2-one, 4-(acetyloxy)tetrahydro-5-iodo-3,6-dimethyl-, (3.alpha.,4.alpha.,5.alpha.,6.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.985853895 u |
| Formula |
C9H13IO4 |
| InChI |
InChI=1S/C9H13IO4/c1-4-8(14-6(3)11)7(10)5(2)13-9(4)12/h4-5,7-8H,1-3H3/t4-,5-,7-,8+/m1/s1 |
| InChIKey |
SMIHLEWFEVQWKY-APOSLCTFSA-N |
| Molecular Weight |
312.103 g/mol |
| SMILES |
C1([C@@]([C@](OC(=O)C)([C@@]([C@](O1)(C)[H])(I)[H])[H])(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843143 |
