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2H-Phenanthro[2,1-b]azepin-2-one, 1,3,4,5,5a.alpha.,5b.beta.,6,7,7a.alpha.,8,9,10,11,11a,11b.alpha.,12,13,13a-octadecahydro-9.beta.-methoxy-11a.beta.,13a.beta.-dimethyl-
SpectraBase Compound ID DBjAI2yxoTP
InChI InChI=1S/C21H35NO2/c1-20-11-9-15(24-3)13-14(20)7-8-16-17(20)10-12-21(2)18(16)5-4-6-19(23)22-21/h14-18H,4-13H2,1-3H3,(H,22,23)
InChIKey PKMZDZTXTDMVFV-UHFFFAOYSA-N
Mol Weight 333.5 g/mol
Molecular Formula C21H35NO2
Exact Mass 333.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nxUYVzDYMF
Name 2H-Phenanthro[2,1-b]azepin-2-one, 1,3,4,5,5a.alpha.,5b.beta.,6,7,7a.alpha.,8,9,10,11,11a,11b.alpha.,12,13,13a-octadecahydro-9.beta.-methoxy-11a.beta.,13a.beta.-dimethyl-
Alternate Name(s) 9-Methoxy-11a,13a-dimethyloctadecahydro-2H-phenanthro[2,1-b]azepin-2-one
CAS Registry Number 21003-00-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35NO2
InChI InChI=1S/C21H35NO2/c1-20-11-9-15(24-3)13-14(20)7-8-16-17(20)10-12-21(2)18(16)5-4-6-19(23)22-21/h14-18H,4-13H2,1-3H3,(H,22,23)
InChIKey PKMZDZTXTDMVFV-UHFFFAOYSA-N
Molecular Weight 333.516 g/mol
SMILES N1C(CCCC2C1(CCC1C2CCC2C1(C)CCC(C2)OC)C)=O
SPLASH splash10-01b9-9816000000-3e1a8ef27c252985a993
Source of Spectrum T-68-4789-0
Wiley ID 49797