| SpectraBase Spectrum ID |
FRQRks9SwDn |
| Name |
3-Buten-2-one, 4-[5-(4-hydroxy-3-methyl-2-butenyl)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, [R-(E,E)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.208930140 u |
| Formula |
C18H28O2 |
| InChI |
InChI=1S/C18H28O2/c1-13(12-19)6-9-16-10-7-14(2)17(18(16,4)5)11-8-15(3)20/h6,8,11,16,19H,7,9-10,12H2,1-5H3/b11-8+,13-6+/t16-/m0/s1 |
| InChIKey |
SGSKTONSGUYRHY-SXUFMCQPSA-N |
| Molecular Weight |
276.420 g/mol |
| SMILES |
C=1(C([C@@](C\C=C\(CO)C)(CCC1C)[H])(C)C)\C=C\C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97696 |
![3-Buten-2-one, 4-[5-(4-hydroxy-3-methyl-2-butenyl)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, [R-(E,E)]-](/api/spectrum/FRQRks9SwDn/structure.png?h=300&w=458 "3-Buten-2-one, 4-[5-(4-hydroxy-3-methyl-2-butenyl)-2,6,6-trimethyl-1-cyclohexen-1-yl]-, [R-(E,E)]-")
