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1,4-Bis[3,5-bis(diisopropylamino)-1-propylamino-6-oxa-2,4-diaza-1,3,5-hexatrienyl]benzene

View entire compound with spectra: 1 MS (GC)

1,4-Bis[3,5-bis(diisopropylamino)-1-propylamino-6-oxa-2,4-diaza-1,3,5-hexatrienyl]benzene
SpectraBase Compound ID 6jZfAfun4H9
InChI InChI=1S/C42H76N10O2/c1-19-25-43-37(45-39(49(27(3)4)28(5)6)47-41(53)51(31(11)12)32(13)14)35-21-23-36(24-22-35)38(44-26-20-2)46-40(50(29(7)8)30(9)10)48-42(54)52(33(15)16)34(17)18/h21-24,27-34H,19-20,25-26H2,1-18H3,(H,43,45,47,53)(H,44,46,48,54)
InChIKey XMUIYKDKIFQTQB-UHFFFAOYSA-N
Mol Weight 753.1 g/mol
Molecular Formula C42H76N10O2
Exact Mass 752.615272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIwmRJPDsAk
Name 1,4-Bis[3,5-bis(diisopropylamino)-1-propylamino-6-oxa-2,4-diaza-1,3,5-hexatrienyl]benzene
Alternate Name(s) (3Z)-3-[[di(propan-2-yl)amino]-[[[4-[[[(Z)-[di(propan-2-yl)amino]-[[di(propan-2-yl)amino]-oxomethyl]iminomethyl]amino]-propyliminomethyl]phenyl]-propyliminomethyl]amino]methylidene]-1,1-di(propan-2-yl)urea (3Z)-3-[[di(propan-2-yl)amino]-[[C-[4-[N-[(Z)-N'-[di(propan-2-yl)carbamoyl]-N,N-di(propan-2-yl)carbamimidoyl]-N'-propylcarbamimidoyl]phenyl]-N-propylcarbonimidoyl]amino]methylidene]-1,1-di(propan-2-yl)urea (3Z)-3-[(diisopropylamino)-[[C-[4-[N-[(Z)-N'-(diisopropylcarbamoyl)-N,N-diisopropyl-carbamimidoyl]-N'-propyl-carbamimidoyl]phenyl]-N-propyl-carbonimidoyl]amino]methylene]-1,1-diisopropyl-urea (3Z)-3-[[di(propan-2-yl)amino]-[[C-[4-[N-[(Z)-N'-[di(propan-2-yl)carbamoyl]-N,N-di(propan-2-yl)carbamimidoyl]-N'-propyl-carbamimidoyl]phenyl]-N-propyl-carbonimidoyl]amino]methylidene]-1,1-di(propan-2-yl)urea
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Formula C42H76N10O2
InChI InChI=1S/C42H76N10O2/c1-19-25-43-37(45-39(49(27(3)4)28(5)6)47-41(53)51(31(11)12)32(13)14)35-21-23-36(24-22-35)38(44-26-20-2)46-40(50(29(7)8)30(9)10)48-42(54)52(33(15)16)34(17)18/h21-24,27-34H,19-20,25-26H2,1-18H3,(H,43,45,47,53)(H,44,46,48,54)
InChIKey XMUIYKDKIFQTQB-UHFFFAOYSA-N
Molecular Weight 753.138 g/mol
SMILES N(\C(c1ccc(\C(=N\C(=N\C(N(C(C)C)C(C)C)=O)N(C(C)C)C(C)C)NCCC)cc1)=N/C(=N/C(N(C(C)C)C(C)C)=O)N(C(C)C)C(C)C)CCC
SPLASH splash10-000l-9405000000-d2da7a66a9423e26edf5
Source of Spectrum U1-2008-5747-3a
Wiley ID 1662208