| SpectraBase Spectrum ID |
2Nkyd4oxrxA |
| Name |
3-[3,5-bis(Tert-butoxycarbonyl)cyclohex-2-en-1-yl]propanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.204238680 u |
| Formula |
C19H30O6 |
| InChI |
InChI=1S/C19H30O6/c1-18(2,3)24-16(22)13-9-12(7-8-15(20)21)10-14(11-13)17(23)25-19(4,5)6/h9,12,14H,7-8,10-11H2,1-6H3,(H,20,21) |
| InChIKey |
WHTUNGVEYWQQSF-UHFFFAOYSA-N |
| Molecular Weight |
354.443 g/mol |
| SMILES |
C1(C(OC(C)(C)C)=O)=CC(CCC(=O)O)CC(C(OC(C)(C)C)=O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945027 |
![3-[3,5-bis(Tert-butoxycarbonyl)cyclohex-2-en-1-yl]propanoic acid](/api/spectrum/2Nkyd4oxrxA/structure.png?h=300&w=458 "3-[3,5-bis(Tert-butoxycarbonyl)cyclohex-2-en-1-yl]propanoic acid")
