| SpectraBase Spectrum ID |
C2M6xnkmYJP |
| Name |
Tricyclo[3.2.1.02,7]octane-1-carboxylic acid, 2,8,8-trimethyl-6-oxo-, methyl ester, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-11(2)7-5-6-12(3)9(8(7)14)13(11,12)10(15)16-4/h7,9H,5-6H2,1-4H3/t7-,9?,12+,13?/m0/s1 |
| InChIKey |
WWTVOUWBFTWKNS-OODIGTBPSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
C12([C@@]3(CC[C@](C2(C)C)(C(C13)=O)[H])C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968389 |
![Tricyclo[3.2.1.02,7]octane-1-carboxylic acid, 2,8,8-trimethyl-6-oxo-, methyl ester, (.+-.)-](/api/spectrum/C2M6xnkmYJP/structure.png?h=300&w=458 "Tricyclo[3.2.1.02,7]octane-1-carboxylic acid, 2,8,8-trimethyl-6-oxo-, methyl ester, (.+-.)-")
