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3a,5-dimethylspiro[1,3,10,10a-tetrahydrocyclopenta[c][1]benzazepine-2,1'-cycloheptane]-4-one
SpectraBase Compound ID GQNRaWywTRW
InChI InChI=1S/C21H29NO/c1-20-15-21(11-7-3-4-8-12-21)14-17(20)13-16-9-5-6-10-18(16)22(2)19(20)23/h5-6,9-10,17H,3-4,7-8,11-15H2,1-2H3
InChIKey FXCRTRKLPGCYQV-UHFFFAOYSA-N
Mol Weight 311.47 g/mol
Molecular Formula C21H29NO
Exact Mass 311.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ezm1FZs4N5
Name 3a,5-dimethylspiro[1,3,10,10a-tetrahydrocyclopenta[c][1]benzazepine-2,1'-cycloheptane]-4-one
Appearance Yellow oil
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Formula C21H29NO
InChI InChI=1S/C21H29NO/c1-20-15-21(11-7-3-4-8-12-21)14-17(20)13-16-9-5-6-10-18(16)22(2)19(20)23/h5-6,9-10,17H,3-4,7-8,11-15H2,1-2H3
InChIKey FXCRTRKLPGCYQV-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 311.469 g/mol
Reported Formula C21H30NO
SMILES c1cc2c(cc1)N(C(C1(C(C2)CC2(C1)CCCCCC2)C)=O)C
SPLASH splash10-0229-0914000000-a1c2b336ffc5e9bf588a
Sample Comments dr = 2:1
Source of Spectrum CN111018784A
Wiley ID 1877142