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ortho-Butylcycloheptylprodigiosin
SpectraBase Compound ID 79Tpb4FiM4S
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
Mol Weight 391.6 g/mol
Molecular Formula C25H33N3O
Exact Mass 391.262363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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