| SpectraBase Spectrum ID |
6wuRfPsPBRd |
| Name |
Atractylenolide I |
| Carrier Gas |
Helium (1.0 mL/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.130679818 u |
| Formula |
C15H18O2 |
| GC Column |
DB-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1 |
| InChIKey |
ZTVSGQPHMUYCRS-SWLSCSKDSA-N |
| Inlet Type |
split (20:1) |
| Instrument Name |
Shimadzu GC/MS-QP 2010SE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.202300793 |
| Molecular Weight |
230.307 g/mol |
| Quality |
1000 |
| SMILES |
C1C[C@]2([C@](C(C1)=C)(CC=1C(=C2)OC(C1C)=O)[H])C |
| SPLASH |
splash10-0gc3-7950000000-03aaf0bf3b8072e26335 |
| Source of Spectrum |
CBD-20-SM3-No-50 (DOI: 10.1002/cbdv.202300793) |
| Wiley ID |
1909979 |
