SpectraBase Spectrum ID |
6jBQl66cwqT |
Name |
Diphenyl [Cyclohexyl({1-[(4-fluorophenyl)selanyl]propan-2-yl}-amino)methyl]phosphonate |
Appearance |
Yellow oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
561.134731085 u |
Formula |
C28H33FNO3PSe |
InChI |
InChI=1S/C28H33FNO3PSe/c1-22(21-35-27-19-17-24(29)18-20-27)30-28(23-11-5-2-6-12-23)34(31,32-25-13-7-3-8-14-25)33-26-15-9-4-10-16-26/h3-4,7-10,13-20,22-23,28,30H,2,5-6,11-12,21H2,1H3 |
InChIKey |
JIJIPWASPKSZAL-UHFFFAOYSA-N |
Instrument Name |
Shimadzu GCMS |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/ejoc.201701565 |
Molecular Weight |
560.520 g/mol |
Quality |
58 |
SMILES |
N(C(P(OC1=CC=CC=C1)(=O)OC1=CC=CC=C1)C1CCCCC1)C(C[Se]C1=CC=C(C=C1)F)C |
SPLASH |
splash10-007o-2490000000-ff8bc1f7dc5ba5aaae90 |
Sample Comments |
dr = 60:40 |
Source of Spectrum |
K1-2018-637-4l (DOI: 10.1002/ejoc.201701565) |
Wiley ID |
1894436 |