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N-((3aS,4S,7S,7aS)-5,7-diheptyl-2-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)acetamide
SpectraBase Compound ID B6aBejjXVmP
InChI InChI=1S/C25H42N2O3/c1-5-7-9-11-13-15-19-17-20(16-14-12-10-8-6-2)23(26-18(3)28)22-21(19)24(29)27(4)25(22)30/h17,19,21-23H,5-16H2,1-4H3,(H,26,28)/t19-,21-,22-,23+/m0/s1
InChIKey OAIGGESLLAJOPO-XXTHSBEZSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H42N2O3
Exact Mass 418.319543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JV3CjbZGtE
Name N-((3aS,4S,7S,7aS)-5,7-diheptyl-2-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)acetamide
Alternate Name(s) N-[(3aS,4S,7S,7aS)-5,7-diheptyl-2-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide N-[(3aS,4S,7S,7aS)-5,7-diheptyl-2-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-4-yl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42N2O3
InChI InChI=1S/C25H42N2O3/c1-5-7-9-11-13-15-19-17-20(16-14-12-10-8-6-2)23(26-18(3)28)22-21(19)24(29)27(4)25(22)30/h17,19,21-23H,5-16H2,1-4H3,(H,26,28)/t19-,21-,22-,23+/m0/s1
InChIKey OAIGGESLLAJOPO-XXTHSBEZSA-N
Literature Reference DOI 10.1002/adsc.200404056
Molecular Weight 418.622 g/mol
SMILES N(C(=O)C)[C@]1([C@]2(C(N(C)C([C@]2([C@@](CCCCCCC)(C=C1CCCCCCC)[H])[H])=O)=O)[H])[H]
SPLASH splash10-004i-6109200000-a67b9c8a5456520d2da2
Source of Spectrum ASC-346-976-1h
Wiley ID 1767644