| SpectraBase Spectrum ID |
1vwijt509g |
| Name |
Atractylodin |
| Carrier Gas |
Helium (1.0 mL/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H10O |
| GC Column |
DB-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8+ |
| InChIKey |
GRBKWAXRYIITKG-QFMFQGICSA-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 |
182.222 g/mol |
| Quality |
769 |
| SMILES |
C=1(OC=CC1)\C=C\C#CC#C\C=C\C |
| SPLASH |
splash10-0ue9-2900000000-d0be1178f7b6efdb2066 |
| Source of Spectrum |
CBD-20-SM3-No-47 (DOI: 10.1002/cbdv.202300793) |
| Wiley ID |
1909975 |
