| SpectraBase Spectrum ID |
6vUCObjA567 |
| Name |
3-(1-hydroxyheptyl)-4-pentyl-cyclobut-3-ene-1,2-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H26O3 |
| InChI |
InChI=1S/C16H26O3/c1-3-5-7-9-11-13(17)14-12(10-8-6-4-2)15(18)16(14)19/h13,17H,3-11H2,1-2H3 |
| InChIKey |
HCZUMHGMFMZOAC-UHFFFAOYSA-N |
| Molecular Weight |
266.381 g/mol |
| SMILES |
OC(C1=C(CCCCC)C(C1=O)=O)CCCCCC |
| SPLASH |
splash10-0002-0930000000-8543e633cf451b624680 |
| Source of Spectrum |
AT-38-7232-7 |
| Synonyms |
3-(1-oxidanylheptyl)-4-pentyl-cyclobut-3-ene-1,2-dione
3-amyl-4-(1-hydroxyheptyl)cyclobut-3-ene-1,2-quinone |
| Wiley ID |
854003 |
