| SpectraBase Spectrum ID |
F3raPRhqDvC |
| Name |
2-(((1S,3R,7S,9aR)-1,4,7-Trimethyl-3-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1-phenalen-5-yl)oxy)acetamide |
| Appearance |
Colorless solid |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.235479240 u |
| Formula |
C22H31NO2 |
| GC Oven Program |
Oven temp 300 oC |
| InChI |
InChI=1S/C22H31NO2/c1-12(2)8-16-9-14(4)17-7-6-13(3)18-10-19(25-11-20(23)24)15(5)21(16)22(17)18/h8,10,13-14,16-17H,6-7,9,11H2,1-5H3,(H2,23,24)/t13-,14-,16-,17+/m0/s1 |
| InChIKey |
GCZSYIIFMZQRPO-NXNVCVFFSA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202200058 |
| Optical Rotation |
[a]D20 = -398.4 (365 nm), -201.1 (436 nm), -99.2 (546 nm), -84.4 (579 nm), -80.49 (589 nm) (0.41 g/100 ml in CHCl3) |
| Quality |
458 |
| SMILES |
NC(COC1=CC=2[C@](CC[C@]3(C2C(=C1C)[C@](C[C@@]3(C)[H])(C=C(C)C)[H])[H])(C)[H])=O |
| SPLASH |
splash10-002o-1596000000-50fa19cea9e0a3367dbe |
| Source of Spectrum |
K1-2022-SM70-SI-17 (DOI: 10.1002/ejoc.202200058) |
| Thin-Layer Chromatography |
0.3 (SiO2, cHex/EtOAc, 1:1) |
| Wiley ID |
1898730 |
