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1,10-Diaza-1,10-(3,6-dioxacycloocta)-4,7,13,15-tetraoxa-12,14-(methanoxymethano)-14-16-[methano(N-benzylaza)methano]cycloheptadecane

View entire compound with spectra: 1 MS (GC)

1,10-Diaza-1,10-(3,6-dioxacycloocta)-4,7,13,15-tetraoxa-12,14-(methanoxymethano)-14-16-[methano(N-benzylaza)methano]cycloheptadecane
SpectraBase Compound ID AxtpPsDSvga
InChI InChI=1S/C28H45N3O7/c1-2-4-25(5-3-1)18-31-20-26-19-29-6-10-32-14-16-34-12-8-30(9-13-35-17-15-33-11-7-29)21-27-22-36-24-28(23-31,37-26)38-27/h1-5,26-27H,6-24H2/t26-,27-,28+/m1/s1
InChIKey GCNVOSRGGWFWKT-FCEKVYKBSA-N
Mol Weight 535.7 g/mol
Molecular Formula C28H45N3O7
Exact Mass 535.325751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ccxp5b6sQ5s
Name 1,10-Diaza-1,10-(3,6-dioxacycloocta)-4,7,13,15-tetraoxa-12,14-(methanoxymethano)-14-16-[methano(N-benzylaza)methano]cycloheptadecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H45N3O7
InChI InChI=1S/C28H45N3O7/c1-2-4-25(5-3-1)18-31-20-26-19-29-6-10-32-14-16-34-12-8-30(9-13-35-17-15-33-11-7-29)21-27-22-36-24-28(23-31,37-26)38-27/h1-5,26-27H,6-24H2/t26-,27-,28+/m1/s1
InChIKey GCNVOSRGGWFWKT-FCEKVYKBSA-N
Molecular Weight 535.682 g/mol
SMILES [C@]123O[C@](CN4CCOCCOCCN(C[C@@](O3)(COC1)[H])CCOCCOCC4)(CN(C2)Cc1ccccc1)[H]
SPLASH splash10-052o-7920570000-8e020c2549afb8cef2d7
Source of Spectrum AT-40-4996-15
Wiley ID 854589