| SpectraBase Spectrum ID |
1s8gSGaMBU |
| Name |
(3R,4aS,5R)-4a,5-dimethyl-3-(phenylethynyl)-1,2,3,4,4a,5,6,7-octahydronaphthalene |
| Appearance |
Colorless oil |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.187800773 u |
| Formula |
C20H24 |
| InChI |
InChI=1S/C20H24/c1-16-7-6-10-19-14-13-18(15-20(16,19)2)12-11-17-8-4-3-5-9-17/h3-5,8-10,16,18H,6-7,13-15H2,1-2H3/t16-,18-,20+/m1/s1 |
| InChIKey |
IFBIAONLVMTQLQ-POAQFYNOSA-N |
| Instrument Name |
Agilent 5977A GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202203425 |
| Molecular Weight |
264.412 g/mol |
| Optical Rotation |
[a]D31 = +32.5 (c = 1.0, CHCl3) |
| Quality |
192 |
| SMILES |
C1CC=C2CC[C@@](C#CC3=CC=CC=C3)(C[C@@]2(C)[C@@]1(C)[H])[H] |
| SPLASH |
splash10-06vl-1690000000-aac9610e68c0239cef45 |
| Source of Spectrum |
QE-29-SM75-21e (DOI: 10.1002/chem.202203425) |
| Wiley ID |
1911393 |
