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N-(6-Benzyl-2-butyl-8,10-dimethyl-2,6-diazatricyclo[5.3.1.0(3,8)]undec-9-en-11-ylmethyl)-N-butylacetamide
SpectraBase Compound ID G8pfa4Y1iTO
InChI InChI=1S/C29H45N3O/c1-6-8-16-30(23(4)33)21-25-27-22(3)19-29(5)26(32(27)17-9-7-2)15-18-31(28(25)29)20-24-13-11-10-12-14-24/h10-14,19,25-28H,6-9,15-18,20-21H2,1-5H3/t25-,26+,27+,28+,29+/m0/s1
InChIKey MVMZOBARPXVSSA-MMBNBZRISA-N
Mol Weight 451.7 g/mol
Molecular Formula C29H45N3O
Exact Mass 451.356263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51Ibqls5kSB
Name N-(6-Benzyl-2-butyl-8,10-dimethyl-2,6-diazatricyclo[5.3.1.0(3,8)]undec-9-en-11-ylmethyl)-N-butylacetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H45N3O
InChI InChI=1S/C29H45N3O/c1-6-8-16-30(23(4)33)21-25-27-22(3)19-29(5)26(32(27)17-9-7-2)15-18-31(28(25)29)20-24-13-11-10-12-14-24/h10-14,19,25-28H,6-9,15-18,20-21H2,1-5H3/t25-,26+,27+,28+,29+/m0/s1
InChIKey MVMZOBARPXVSSA-MMBNBZRISA-N
Molecular Weight 451.699 g/mol
SMILES [C@@]12([C@]3([C@@](CN(C(=O)C)CCCC)([C@@](C(=C2)C)(N([C@@]1(CCN3Cc1ccccc1)[H])CCCC)[H])[H])[H])C
SPLASH splash10-03dl-8900100000-a34f1132f055c997b65f
Source of Spectrum J-64-7385-15
Wiley ID 1531094