SpectraBase Spectrum ID |
DvBuyrIO9Ny |
Name |
rac-2-(1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile |
Appearance |
Pale yellow oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C19H26N2O |
InChI |
InChI=1S/C19H26N2O/c1-13-10-19(4,15-9-7-6-8-14(15)12-20)11-16-17(13)21(5)22-18(16,2)3/h6-9,13,16-17H,10-11H2,1-5H3 |
InChIKey |
WIFFMNLXYHCKSV-UHFFFAOYSA-N |
Instrument Name |
GCMS |
Ionization Type |
EI |
Molecular Weight |
298.430 g/mol |
SMILES |
C1(ON(C2C1CC(CC2C)(c1c(cccc1)C#N)C)C)(C)C |
SPLASH |
splash10-002s-9430000000-b4e15bcb623f6d3cd443 |
Sample Comments |
Isomer 1 |
Source of Spectrum |
CN114761385A |
Wiley ID |
1884425 |