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Azacyclohexadecane, carbamic acid deriv.
SpectraBase Compound ID AEWdo8bDrvX
InChI InChI=1S/C23H43N3O5/c1-23(2,3)31-22(28)24-17-13-19-25-18-12-15-20(26(29)30)14-10-8-6-4-5-7-9-11-16-21(25)27/h20H,4-19H2,1-3H3,(H,24,28)
InChIKey KUANTLBVMFQIQF-UHFFFAOYSA-N
Mol Weight 441.6 g/mol
Molecular Formula C23H43N3O5
Exact Mass 441.320271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOtgQJbeF7P
Name Azacyclohexadecane, carbamic acid deriv.
Alternate Name(s) Carbamic acid, [3-(13-nitro-2-oxoazacyclohexadec-1-yl)propyl]-, 1,1-dimethylethyl ester N-[3-tert-(butoxycarbonylamino)propyl]-12-nitro-15-pentadecanlactam tert-Butyl 3-(13-nitro-2-oxoazacyclohexadecan-1-yl)propylcarbamate
CAS Registry Number 99379-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H43N3O5
InChI InChI=1S/C23H43N3O5/c1-23(2,3)31-22(28)24-17-13-19-25-18-12-15-20(26(29)30)14-10-8-6-4-5-7-9-11-16-21(25)27/h20H,4-19H2,1-3H3,(H,24,28)
InChIKey KUANTLBVMFQIQF-UHFFFAOYSA-N
Molecular Weight 441.613 g/mol
SMILES N(C(OC(C)(C)C)=O)CCCN1CCCC(N(=O)=O)CCCCCCCCCCC1=O
SPLASH splash10-0a4l-9111000000-9cf653becd47f5b8f82b
Source of Spectrum H-68-491-31
Wiley ID 1385055