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(1S,4R,6S,8S,11S)-3-Benzyl-6-isipropyenyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-9-one
SpectraBase Compound ID 38mROE1zuR5
InChI InChI=1S/C21H27NO/c1-14(2)16-9-18-19(23)11-17-13-22(20(10-16)21(17,18)3)12-15-7-5-4-6-8-15/h4-8,16-18,20H,1,9-13H2,2-3H3/t16-,17+,18+,20+,21-/m0/s1
InChIKey WFMUFPGSMLWJSP-VXXGZENSSA-N
Mol Weight 309.45 g/mol
Molecular Formula C21H27NO
Exact Mass 309.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IuBPWXyfF25
Name (1S,4R,6S,8S,11S)-3-Benzyl-6-isipropyenyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO
InChI InChI=1S/C21H27NO/c1-14(2)16-9-18-19(23)11-17-13-22(20(10-16)21(17,18)3)12-15-7-5-4-6-8-15/h4-8,16-18,20H,1,9-13H2,2-3H3/t16-,17+,18+,20+,21-/m0/s1
InChIKey WFMUFPGSMLWJSP-VXXGZENSSA-N
Molecular Weight 309.453 g/mol
SMILES [C@@]12([C@@]3(N(Cc4ccccc4)C[C@]1(CC([C@]2(C[C@](C(=C)C)(C3)[H])[H])=O)[H])[H])C
SPLASH splash10-0006-9042000000-1db1c3287d064bf5aaae
Source of Spectrum J-59-5639-5
Synonyms (1S,4R,6S,8S,11S)-3-Benzyl-6-isopropyenyl-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-9-one (2aS,4aS,6S,7aR,7bR)-1-benzyl-6-isopropenyl-7b-methyldecahydro-4H-cyclopenta[cd]indol-4-one
Wiley ID 1310887