| SpectraBase Spectrum ID |
1oFevwWaxDQ |
| Name |
(2S,E)-2-Methyl-6-(p-tolyl)hept-2-ene-1-yl acetate |
| Appearance |
Light yellow liquid |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.177630011 u |
| Formula |
C17H24O2 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C17H24O2/c1-13-8-10-17(11-9-13)15(3)7-5-6-14(2)12-19-16(4)18/h6,8-11,15H,5,7,12H2,1-4H3/b14-6+/t15-/m0/s1 |
| InChIKey |
MGCGLWILILAXQZ-HVJNQHDOSA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202101863 |
| Molecular Weight |
260.377 g/mol |
| Optical Rotation |
[a]lambda20 = 74.3 (436 nm), 41.5 (546 nm), 35.9 (579 nm), 33.8 (589 nm) (c = 0.88 g/100 ml, CHCl3) |
| Quality |
221 |
| SMILES |
C\C(COC(C)=O)=C/CC[C@](C)(C1=CC=C(C=C1)C)[H] |
| SPLASH |
splash10-067l-1900000000-cdd6247ca46be4f74670 |
| Source of Spectrum |
QE-27-SM16-7a (DOI: 10.1002/chem.202101863) |
| Thin-Layer Chromatography |
0.11 (CyHex/EtOAc, 50:1) |
| Wiley ID |
1902164 |
