For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,4,7,10,13,16-Hexapentanoyl-1,4,7,10,13,16-hexaazacyclooctadecane
SpectraBase Compound ID E3sKJSRImb5
InChI InChI=1S/C42H78N6O6/c1-7-13-19-37(49)43-25-27-44(38(50)20-14-8-2)29-31-46(40(52)22-16-10-4)33-35-48(42(54)24-18-12-6)36-34-47(41(53)23-17-11-5)32-30-45(28-26-43)39(51)21-15-9-3/h7-36H2,1-6H3
InChIKey QPBAZBVSUGLXQH-UHFFFAOYSA-N
Mol Weight 763.1 g/mol
Molecular Formula C42H78N6O6
Exact Mass 762.598284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8Y4UBTk3OP8
Name 1-(4,7,10,13,16-PENTAPENTANOYL-1,4,7,10,13,16-HEXAAZACYCLOOCTADEC-1-YL)PENTAN-1-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C42H78N6O6
InChI InChI=1S/C42H78N6O6/c1-7-13-19-37(49)43-25-27-44(38(50)20-14-8-2)29-31-46(40(52)22-16-10-4)33-35-48(42(54)24-18-12-6)36-34-47(41(53)23-17-11-5)32-30-45(28-26-43)39(51)21-15-9-3/h7-36H2,1-6H3
InChIKey QPBAZBVSUGLXQH-UHFFFAOYSA-N
Molecular Weight 762.5964
SMILES C(N1CCN(C(CCCC)=O)CCN(C(CCCC)=O)CCN(C(CCCC)=O)CCN(C(CCCC)=O)CCN(C(CCCC)=O)CC1)(CCCC)=O
SPLASH splash10-0pca-6931000000-aae3511a31bb997f22fd
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany