SpectraBase Spectrum ID |
GpF8KXGRbCM |
Name |
ortho-Butylcycloheptylprodigiosin |
Appearance |
Dark orange solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C25H33N3O |
InChI |
InChI=1S/C25H33N3O/c1-3-4-10-18-11-7-5-6-8-12-21-20(18)15-19(27-21)16-24-25(29-2)17-23(28-24)22-13-9-14-26-22/h9,13-18,26-27H,3-8,10-12H2,1-2H3/b24-16- |
InChIKey |
VKFOCULFEFSDPI-JLPGSUDCSA-N |
Instrument Name |
Agilent 6210 |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/np400531b |
Molecular Weight |
391.559 g/mol |
Reported Formula |
C25H33N3O |
SMILES |
[nH]1c(C=2C=C(\C(=C\c3cc4c(CCCCCCC4CCCC)[nH]3)N2)OC)ccc1 |
SPLASH |
splash10-0006-0009000000-0547abe03a3e366e8f51 |
Source of Spectrum |
G4-76-SM6-BCHP |
Wiley ID |
1865652 |