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Macrocyclic N-methyltetramide
SpectraBase Compound ID GFrElLsUa4a
InChI InChI=1S/C34H44N4O8/c1-33(2)43-25-26(44-33)30(40)36(6)18-22-11-15-24(16-12-22)20-38(8)32(42)28-27(45-34(3,4)46-28)31(41)37(7)19-23-13-9-21(10-14-23)17-35(5)29(25)39/h9-16,25-28H,17-20H2,1-8H3/t25-,26-,27-,28?/m1/s1
InChIKey VRSCERAHNSCCBE-STQJPMTFSA-N
Mol Weight 636.7 g/mol
Molecular Formula C34H44N4O8
Exact Mass 636.315914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvH6sB8nCsq
Name Macrocyclic N-methyltetramide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H44N4O8
InChI InChI=1S/C34H44N4O8/c1-33(2)43-25-26(44-33)30(40)36(6)18-22-11-15-24(16-12-22)20-38(8)32(42)28-27(45-34(3,4)46-28)31(41)37(7)19-23-13-9-21(10-14-23)17-35(5)29(25)39/h9-16,25-28H,17-20H2,1-8H3/t25-,26-,27-,28?/m1/s1
InChIKey VRSCERAHNSCCBE-STQJPMTFSA-N
Molecular Weight 636.746 g/mol
SMILES [C@@]12([C@](C(N(Cc3ccc(CN(C(C4OC(O[C@]4(C(N(Cc4ccc(CN(C2=O)C)cc4)C)=O)[H])(C)C)=O)C)cc3)C)=O)(OC(O1)(C)C)[H])[H]
SPLASH splash10-001i-0900011000-0b104961823a7c11ab92
Source of Spectrum AT-38-6220-3
Wiley ID 854050