| SpectraBase Spectrum ID |
BASgrsLa3rs |
| Name |
11-Oxatricyclo[4.3.1.12,5]undec-3-en-10-one, 7-methyl-1-(1-methylethyl)-, [1R-(1.alpha.,2.beta.,5.beta.,6.alpha.,7.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-8(2)14-7-6-9(3)12(13(14)15)10-4-5-11(14)16-10/h4-5,8-12H,6-7H2,1-3H3/t9-,10?,11?,12?,14?/m1/s1 |
| InChIKey |
NAEUYJNVGXUCFM-GVDDXCRBSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C12(C(C([C@@](CC2)(C)[H])C2OC1C=C2)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815566 |
![11-Oxatricyclo[4.3.1.12,5]undec-3-en-10-one, 7-methyl-1-(1-methylethyl)-, [1R-(1.alpha.,2.beta.,5.beta.,6.alpha.,7.alpha.)]-](/api/spectrum/BASgrsLa3rs/structure.png?h=300&w=458 "11-Oxatricyclo[4.3.1.12,5]undec-3-en-10-one, 7-methyl-1-(1-methylethyl)-, [1R-(1.alpha.,2.beta.,5.beta.,6.alpha.,7.alpha.)]-")
