| SpectraBase Spectrum ID |
9qTqgTLGEcT |
| Name |
Endo-2,3-bis(hydroxymethyl)bicyclo[2.2.1]hept-5-en-.gamma.-lactol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
152.083729624 u |
| Formula |
C9H12O2 |
| InChI |
InChI=1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-10H,3-4H2/t5-,6+,7-,8+,9?/m0/s1 |
| InChIKey |
MSPXLDIYOLJENY-WUQSDXJHSA-N |
| Molecular Weight |
152.193 g/mol |
| SMILES |
[C@@]12([C@@]3([C@](COC3O)([H])[C@](C1)(C=C2)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957144 |
![Endo-2,3-bis(hydroxymethyl)bicyclo[2.2.1]hept-5-en-.gamma.-lactol](/api/spectrum/9qTqgTLGEcT/structure.png?h=300&w=458 "Endo-2,3-bis(hydroxymethyl)bicyclo[2.2.1]hept-5-en-.gamma.-lactol")
