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Pentylcycloheptylprodigiosin??HCl
SpectraBase Compound ID EUOyu6vqSHf
InChI InChI=1S/C26H35N3O/c1-3-4-7-11-19-12-8-5-6-9-13-20-16-21(19)23(28-20)17-25-26(30-2)18-24(29-25)22-14-10-15-27-22/h10,14-19,27-28H,3-9,11-13H2,1-2H3/b25-17-
InChIKey QKOCBHFJECAKQP-UQQQWYQISA-N
Mol Weight 405.6 g/mol
Molecular Formula C26H35N3O
Exact Mass 405.278013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACsOHUzsion
Name Pentylcycloheptylprodigiosin??HCl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35N3O
InChI InChI=1S/C26H35N3O/c1-3-4-7-11-19-12-8-5-6-9-13-20-16-21(19)23(28-20)17-25-26(30-2)18-24(29-25)22-14-10-15-27-22/h10,14-19,27-28H,3-9,11-13H2,1-2H3/b25-17-
InChIKey QKOCBHFJECAKQP-UQQQWYQISA-N
Instrument Name Agilent 6210
Ionization Type EI
Literature Reference DOI 10.1021/np400531b
Molecular Weight 405.586 g/mol
Reported Formula C26H35N3O
SMILES [nH]1c(C2=N\C(=C/c3[nH]c4CCCCCCC(c3c4)CCCCC)C(=C2)OC)ccc1
SPLASH splash10-0a4i-5002900000-41ffbcb9e71da86b5eec
Source of Spectrum G4-76-SM12-23
Wiley ID 1865651