| SpectraBase Spectrum ID |
3UJI8WKeLsJ |
| Name |
Guaianolide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14O3 |
| InChI |
InChI=1S/C15H14O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h4-6,13-14H,1-3H3/t13-,14-/m0/s1 |
| InChIKey |
WBTXFPRRNVGKFC-KBPBESRZSA-N |
| Molecular Weight |
242.274 g/mol |
| SMILES |
C1=2[C@@]([C@@]3(C(C(=O)C=C3C)=C(C=C1)C)[H])(OC(C2C)=O)[H] |
| SPLASH |
splash10-0006-0090000000-013d5f069409276a4e71 |
| Source of Spectrum |
X2-50-28-4 |
| Synonyms |
4,10,11-Trimethyl-2,12-oxo-13-oxa-trideca-tetraene |
| Wiley ID |
1602155 |
