| SpectraBase Spectrum ID |
POd1LeL2iQ |
| Name |
3-Oxogeosmin |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-9-10(13)5-8-11(2)6-3-4-7-12(9,11)14/h9,14H,3-8H2,1-2H3/t9-,11+,12-/m0/s1 |
| InChIKey |
QLBJXXLQVSEASQ-WCQGTBRESA-N |
| Instrument Name |
Thermo Q-Exactive GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.0c00304 |
| Molecular Weight |
196.290 g/mol |
| Optical Rotation |
[a]D24 = -30.5 (c = 0.07, MeOH) |
| Reported Formula |
C12H20O2 |
| SMILES |
O[C@@]12[C@](C(CC[C@]1(CCCC2)C)=O)(C)[H] |
| SPLASH |
splash10-03di-2900000000-4572da28e04d268dc25e |
| Source of Spectrum |
G4-83-SM3-3 |
| Wiley ID |
1876896 |
