SpectraBase Spectrum ID |
3VBS9odkmCi |
Name |
[1S-(cis)]-3,3,5,5,9-Pentamethyl-2,4-dioxabicyclo[4.4.0]dec-8-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
210.161979946 u |
Formula |
C13H22O2 |
InChI |
InChI=1S/C13H22O2/c1-9-6-7-10-11(8-9)14-13(4,5)15-12(10,2)3/h6,10-11H,7-8H2,1-5H3/t10-,11+/m1/s1 |
InChIKey |
VACHSQRELIHMIC-MNOVXSKESA-N |
Molecular Weight |
210.317 g/mol |
SMILES |
C1([C@]2([C@](CC(=CC2)C)(OC(O1)(C)C)[H])[H])(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956245 |