| SpectraBase Spectrum ID |
BfL9nATgWc6 |
| Name |
(+-)-cis-3-hydroxymethyl-2,2-dimethyl-1-cyclobutaneacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
172.109944372 u |
| Formula |
C9H16O3 |
| InChI |
InChI=1S/C9H16O3/c1-9(2)6(4-8(11)12)3-7(9)5-10/h6-7,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m0/s1 |
| InChIKey |
CZBKOTZGMYAONL-NKWVEPMBSA-N |
| Molecular Weight |
172.224 g/mol |
| SMILES |
[C@]1(C(C)(C)[C@](C1)(CO)[H])(CC(=O)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857154 |
