| SpectraBase Spectrum ID |
JKNY3dSsSZx |
| Name |
7-Oxabicyclo[4.1.0]heptane, 4-(1,3-dioxolan-2-ylmethyl)-1,5,5-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.156894565 u |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-12(2)9(8-10-14-6-7-15-10)4-5-13(3)11(12)16-13/h9-11H,4-8H2,1-3H3/t9-,11?,13?/m1/s1 |
| InChIKey |
ZPDQIRUBCHJGRS-CBZQXFMTSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C12OC1(CC[C@@](C2(C)C)(CC1OCCO1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938661 |
![7-Oxabicyclo[4.1.0]heptane, 4-(1,3-dioxolan-2-ylmethyl)-1,5,5-trimethyl-](/api/spectrum/JKNY3dSsSZx/structure.png?h=300&w=458 "7-Oxabicyclo[4.1.0]heptane, 4-(1,3-dioxolan-2-ylmethyl)-1,5,5-trimethyl-")
