| SpectraBase Spectrum ID |
81ZQDtC2hp |
| Name |
1',2-Dihydroxy[bicyclopentyl]-2-acetic acid, tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-14(2,3)20-13(17)11-16(19)10-6-7-12(16)15(18)8-4-5-9-15/h12,18-19H,4-11H2,1-3H3 |
| InChIKey |
OMUYVOKOUASPIU-UHFFFAOYSA-N |
| Molecular Weight |
284.396 g/mol |
| SMILES |
OC1(C2C(CCC2)(O)CC(=O)OC(C)(C)C)CCCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.794276 |
![1',2-Dihydroxy[bicyclopentyl]-2-acetic acid, tert-butyl ester](/api/spectrum/81ZQDtC2hp/structure.png?h=300&w=458 "1',2-Dihydroxy[bicyclopentyl]-2-acetic acid, tert-butyl ester")
