| SpectraBase Spectrum ID |
E0wKN6GvDqN |
| Name |
((1S,3R,7S,9aR)-1,4,7-Trimethyl-3-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl)methanamine |
| Appearance |
Colorless viscous oil |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.245650002 u |
| Formula |
C21H31N |
| GC Oven Program |
Oven temp 300 oC |
| InChI |
InChI=1S/C21H31N/c1-12(2)8-16-9-14(4)18-7-6-13(3)19-10-17(11-22)15(5)20(16)21(18)19/h8,10,13-14,16,18H,6-7,9,11,22H2,1-5H3/t13-,14-,16-,18+/m0/s1 |
| InChIKey |
OBSYDLRQWUYMRW-ILXVDBEPSA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202200058 |
| Molecular Weight |
297.486 g/mol |
| Optical Rotation |
[a]D20 = -325.1 (365 nm), -163.5 (436 nm), -79.0 (546 nm), -67.3 (579 nm), -64.1 (589 nm) (0.55 g/100 ml in CHCl3) |
| Quality |
377 |
| SMILES |
NCC1=CC=2[C@](CC[C@]3(C2C(=C1C)[C@](C[C@@]3(C)[H])(C=C(C)C)[H])[H])(C)[H] |
| SPLASH |
splash10-0019-0290000000-3d50c3b9e1b8b3679250 |
| Source of Spectrum |
K1-2022-SM69-5c (DOI: 10.1002/ejoc.202200058) |
| Thin-Layer Chromatography |
0.3 (SiO2, cHex/EtOAc/MeOH, 3:3:1 + 2 vol% NEt3) |
| Wiley ID |
1898697 |
