| SpectraBase Spectrum ID |
JWHSmx7KHmX |
| Name |
3,7-Methanocyclopenta[C]pyran-1(3H)-one, hexahydro-4A,7-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
180.115029753 u |
| Formula |
C11H16O2 |
| InChI |
InChI=1S/C11H16O2/c1-10-3-4-11(2)6-7(5-10)13-9(12)8(10)11/h7-8H,3-6H2,1-2H3/t7-,8+,10-,11+ |
| InChIKey |
KGUHHUPPNDQQTK-CBZSFBHOSA-N |
| Molecular Weight |
180.247 g/mol |
| SMILES |
C1([C@]2([C@]3(CC[C@]2(C)C[C@](O1)(C3)[H])C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987573 |
![3,7-Methanocyclopenta[c]pyran-1(3H)-one, hexahydro-4a,7-dimethyl-](/api/spectrum/JWHSmx7KHmX/structure.png?h=300&w=458 "3,7-Methanocyclopenta[c]pyran-1(3H)-one, hexahydro-4a,7-dimethyl-")
