| SpectraBase Spectrum ID |
DQSQZzfiHYB |
| Name |
(+)-Dehydroabietylnitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.214349873 u |
| Formula |
C20H27N |
| InChI |
InChI=1S/C20H27N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1 |
| InChIKey |
KSODEYYYINEFHT-SLFFLAALSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600549 |
| Optical Rotation |
[a]D21 = + 59.6 (c = 0.4 g/mL in ethanol) |
| Quality |
240 |
| SMILES |
C1C[C@]2([C@]([C@](C1)(C)C#N)(CCC1=C2C=CC(=C1)C(C)C)[H])C |
| SPLASH |
splash10-014i-1290000000-68b604263c1f4c08d235 |
| Source of Spectrum |
QE-22-SM11-Table 2, entry 17 (DOI: 10.1002/chem.201600549) |
| Wiley ID |
1903093 |
