Dataset
-Thujone.apt
Chemical Info
| InChI | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1 |
|---|---|
| SMILES | CC(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2 |
| InChI Key | USMNOWBWPHYOEA-XKSSXDPKSA-N |
| Molecular Formula | C10H16O |
| Exact Mass | 152.230 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p42.s258.d1498 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D1498 |
| Version | |
| Author | Peter Spiteller |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T16:10:15.686707 |
| MetadataModified | 2024-09-23T09:32:05.134058 |
| MetadataPublished | 2023-12-24 21:57:47 |
| Related Molecule |