| SpectraBase Spectrum ID |
ljePRu1FTt |
| Name |
Neocnidilide |
| Carrier Gas |
Helium (1.0 mL/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.130679818 u |
| Formula |
C12H18O2 |
| GC Column |
HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1 |
| InChIKey |
UPJFTVFLSIQQAV-KOLCDFICSA-N |
| Instrument Name |
Agilent 6890N GC-Agilent 5973N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jssc.200800332 |
| Molecular Weight |
194.274 g/mol |
| Quality |
91 |
| SMILES |
[C@]1([C@]2(C(=CCCC2)C(O1)=O)[H])(CCCC)[H] |
| SPLASH |
splash10-0a4i-2900000000-d271dd62c4af3be8be30 |
| Source of Spectrum |
SEP-31-3235-Peak no. 7 (DOI: 10.1002/jssc.200800332) |
| Wiley ID |
1907970 |
