| SpectraBase Spectrum ID |
1vhTev1J6Ni |
| Name |
Methyl 1,11-dimethyl-5-oxa-4-oxotricyclo[8.4.0.0(2,7)]tetradec-7-en-11-carboxylate isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-16-7-4-8-17(2,15(19)20-3)13(16)6-5-11-10-21-14(18)9-12(11)16/h5,12-13H,4,6-10H2,1-3H3/t12-,13?,16+,17-/m0/s1 |
| InChIKey |
GEKLPNFOWRMMMI-ZKOLMKBRSA-N |
| SMILES |
[C@@]12(C([C@](C(=O)OC)(C)CCC2)CC=C2[C@@]1(CC(OC2)=O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96952 |
![Methyl 1,11-dimethyl-5-oxa-4-oxotricyclo[8.4.0.0(2,7)]tetradec-7-en-11-carboxylate isomer](/api/spectrum/1vhTev1J6Ni/structure.png?h=300&w=458 "Methyl 1,11-dimethyl-5-oxa-4-oxotricyclo[8.4.0.0(2,7)]tetradec-7-en-11-carboxylate isomer")
