| SpectraBase Spectrum ID |
CQ5Sp1ubv4 |
| Name |
[4-Hydroxymethyl-2-pentyl-3-butyl-1-oxooctahydropentalen-6-yl]methyl acetate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-4-6-8-10-18-17(9-7-5-2)19-15(12-22)11-16(13-25-14(3)23)20(19)21(18)24/h15-20,22H,4-13H2,1-3H3 |
| InChIKey |
JHUUDWKUWLLHBR-UHFFFAOYSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
OCC1C2C(C(C(C2C(COC(C)=O)C1)=O)CCCCC)CCCC |
| SPLASH |
splash10-004i-5790000000-ddfe9fab3697d8c4cc8c |
| Source of Spectrum |
K1-0-2223-4 |
| Synonyms |
[4-butyl-3-(hydroxymethyl)-6-oxo-5-pentyloctahydro-1-pentalenyl]methyl acetate |
| Wiley ID |
1588860 |
![[4-Hydroxymethyl-2-pentyl-3-butyl-1-oxooctahydropentalen-6-yl]methyl acetate](/api/spectrum/CQ5Sp1ubv4/structure.png?h=300&w=458 "[4-Hydroxymethyl-2-pentyl-3-butyl-1-oxooctahydropentalen-6-yl]methyl acetate")
