| SpectraBase Spectrum ID |
uNNizzr6lJ |
| Name |
1H-3,9A-Epoxy-2-benzoxepin-2-one, octahydro-3,6,6-trimethyl-, [3S-(3.alpha.,5A.alpha.,9A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-11(2)6-4-7-13-9(11)5-8-12(3,16-13)10(14)15-13/h9H,4-8H2,1-3H3/t9-,12-,13-/m1/s1 |
| InChIKey |
JNQCKUAFUWRJHA-OASPWFOLSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
[C@@]123OC(=O)[C@@](O3)(C)CC[C@@]1(C(CCC2)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908465 |
![1H-3,9a-Epoxy-2-benzoxepin-2-one, octahydro-3,6,6-trimethyl-, [3S-(3.alpha.,5a.alpha.,9a.alpha.)]-](/api/spectrum/uNNizzr6lJ/structure.png?h=300&w=458 "1H-3,9a-Epoxy-2-benzoxepin-2-one, octahydro-3,6,6-trimethyl-, [3S-(3.alpha.,5a.alpha.,9a.alpha.)]-")
