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(1S,4R,8S,11S)-3-Benzyl-6-isipropylidene-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-9-one
SpectraBase Compound ID 5sPBGTVvQr8
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/h4-8,17-18,20H,9-13H2,1-3H3/t17-,18-,20-,21+/m1/s1
InChIKey RIWIZXAVNSZQQM-UKAVVXHISA-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 JYdFLzmDzVS
Name (1S,4R,8S,11S)-3-Benzyl-6-isipropylidene-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-9-one
Alternate Name(s) (1S,4R,8S,11S)-3-Benzyl-6-isopropylidene-11-methyl-3-azatricyclo[6.2.1.0(4,11)]undecan-9-one (2aS,4aS,7aR,7bS)-1-benzyl-7b-methyl-6-(1-methylethylidene)decahydro-4H-cyclopenta[cd]indol-4-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/h4-8,17-18,20H,9-13H2,1-3H3/t17-,18-,20-,21+/m1/s1
InChIKey RIWIZXAVNSZQQM-UKAVVXHISA-N
Molecular Weight 309.453 g/mol
SMILES [C@@]12([C@@]3(N(Cc4ccccc4)C[C@]1(CC([C@]2(CC(=C(C)C)C3)[H])=O)[H])[H])C
SPLASH splash10-00l7-4901000000-0f564d1438f79f543d69
Source of Spectrum J-59-5640-28
Wiley ID 1310886