| SpectraBase Spectrum ID |
LNvgTJMwS6m |
| Name |
3-[(1S,4S)-4,7-dimethyltetralin-1-yl]but-3-en-1-ol |
| Carrier Gas |
Hydrogen (1.7 ml/min, 1.2 bar) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.167065327 u |
| Formula |
C16H22O |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C16H22O/c1-11-4-6-14-12(2)5-7-15(16(14)10-11)13(3)8-9-17/h4,6,10,12,15,17H,3,5,7-9H2,1-2H3/t12-,15-/m0/s1 |
| InChIKey |
IEOSVIRDRZEGJV-WFASDCNBSA-N |
| Instrument Name |
Agilent GC6890-HP 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202101863 |
| Molecular Weight |
230.351 g/mol |
| Optical Rotation |
[a]lambda20 = 64.5 (436 nm), 35.2 (546 nm), 30.5 (579 nm), 29.4 (589 nm) (c= 0.96 g/100 ml, CHCl3) |
| Quality |
128 |
| SMILES |
OCCC([C@]1(C2=C(C=CC(=C2)C)[C@](CC1)(C)[H])[H])=C |
| SPLASH |
splash10-0a4i-1910000000-8a15e3bd5e2ebf47c19e |
| Sample Comments |
Minor diastereomer |
| Source of Spectrum |
QE-27-SM19-cis-13a (DOI: 10.1002/chem.202101863) |
| Thin-Layer Chromatography |
0.22 (CyHex/EtOAc, 5:1) |
| Wiley ID |
1902168 |
![3-[(1S,4S)-4,7-dimethyltetralin-1-yl]but-3-en-1-ol](/api/spectrum/LNvgTJMwS6m/structure.png?h=300&w=458 "3-[(1S,4S)-4,7-dimethyltetralin-1-yl]but-3-en-1-ol")
