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L-Ornithine, N5-[bis[[(dimethylamino)methylene]amino]methylene]-N2-[(dimethylamino)methylene]-, methyl ester
SpectraBase Compound ID LNCukj75IDG
InChI InChI=1S/C16H31N7O2/c1-21(2)11-18-14(15(24)25-7)9-8-10-17-16(19-12-22(3)4)20-13-23(5)6/h11-14H,8-10H2,1-7H3/b18-11+,19-12+,20-13+
InChIKey KKPYIDIUEBHCAP-AOZQBCRVSA-N
Mol Weight 353.47 g/mol
Molecular Formula C16H31N7O2
Exact Mass 353.253923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZ3805nDQJ7
Name L-Ornithine, N5-[bis[[(dimethylamino)methylene]amino]methylene]-N2-[(dimethylamino)methylene]-, methyl ester
CAS Registry Number 59824-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H31N7O2
InChI InChI=1S/C16H31N7O2/c1-21(2)11-18-14(15(24)25-7)9-8-10-17-16(19-12-22(3)4)20-13-23(5)6/h11-14H,8-10H2,1-7H3/b18-11+,19-12+,20-13+
InChIKey KKPYIDIUEBHCAP-AOZQBCRVSA-N
Molecular Weight 353.471 g/mol
SMILES COC(=O)C(CCCN=C(\N=C\N(C)C)\N=C\N(C)C)\N=C\N(C)C
SPLASH splash10-0udj-9801000000-a91fe913e548b48dc254
Source of Spectrum KO-1-117-1
Synonyms Methyl 5-[(bis([(E)-(dimethylamino)methylidene]amino)methylene)amino]-2-([(E)-(dimethylamino)methylidene]amino)pentanoate
Wiley ID 1343830