| SpectraBase Spectrum ID |
B1PPEy3YlSW |
| Name |
1-(1-Hydroxyhexyl)-2-pentylcyclobutene-3,4-dione |
| Alternate Name(s) |
3-(1-hydroxyhexyl)-4-pentyl-3-cyclobutene-1,2-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H24O3 |
| InChI |
InChI=1S/C15H24O3/c1-3-5-7-9-11-13(15(18)14(11)17)12(16)10-8-6-4-2/h12,16H,3-10H2,1-2H3 |
| InChIKey |
MCCXPMMKBGINNW-UHFFFAOYSA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
OC(C1=C(CCCCC)C(C1=O)=O)CCCCC |
| SPLASH |
splash10-0002-0930000000-b1359498e0f1da9a0227 |
| Source of Spectrum |
AT-41-2722-8 |
| Wiley ID |
854763 |
