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9a-(Dimethylamino)-1,2-diphenyl-3a,5,6,7,8,8a,9,9a-octahydrocyclopenta[a]azulen-3-one
SpectraBase Compound ID 9XTwG2z3rle
InChI InChI=1S/C27H29NO/c1-28(2)27-18-21-16-10-5-11-17-22(21)25(27)26(29)23(19-12-6-3-7-13-19)24(27)20-14-8-4-9-15-20/h3-4,6-9,12-15,17,21,25H,5,10-11,16,18H2,1-2H3
InChIKey JQGPIKVHQGMDDA-UHFFFAOYSA-N
Mol Weight 383.54 g/mol
Molecular Formula C27H29NO
Exact Mass 383.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VOK9Fqytiw
Name 9a-(Dimethylamino)-1,2-diphenyl-3a,5,6,7,8,8a,9,9a-octahydrocyclopenta[a]azulen-3-one
Alternate Name(s) 9a-(dimethylamino)-1,2-diphenyl-3a,5,6,7,8,8a,9,9a-octahydro-3H-cyclopenta[a]azulen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29NO
InChI InChI=1S/C27H29NO/c1-28(2)27-18-21-16-10-5-11-17-22(21)25(27)26(29)23(19-12-6-3-7-13-19)24(27)20-14-8-4-9-15-20/h3-4,6-9,12-15,17,21,25H,5,10-11,16,18H2,1-2H3
InChIKey JQGPIKVHQGMDDA-UHFFFAOYSA-N
Molecular Weight 383.535 g/mol
SMILES C12C(CC3CCCCC=C23)(C(=C(C1=O)c1ccccc1)c1ccccc1)N(C)C
SPLASH splash10-001i-1409000000-a881600c73e5e11bbde6
Source of Spectrum H-2005-1635-16
Wiley ID 1562613