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3-Butyl-7-methoxy-2,3,4,12b-tetrahydro-1H-xantheno[1,9-cd]azepin-4-one
SpectraBase Compound ID E4xX7Hs9llZ
InChI InChI=1S/C21H23NO3/c1-3-4-12-22-13-11-15-14-7-5-6-8-17(14)25-20-18(24-2)10-9-16(19(15)20)21(22)23/h5-10,15H,3-4,11-13H2,1-2H3
InChIKey YZKIELSKRLFXJC-UHFFFAOYSA-N
Mol Weight 337.42 g/mol
Molecular Formula C21H23NO3
Exact Mass 337.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NQzjyY44x5
Name 3-Butyl-7-methoxy-2,3,4,12b-tetrahydro-1H-xantheno[1,9-cd]azepin-4-one
Alternate Name(s) 3-Butyl-7-methoxy-1,2,3,12b-tetrahydro-4H-xantheno[1,9-cd]azepin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO3
InChI InChI=1S/C21H23NO3/c1-3-4-12-22-13-11-15-14-7-5-6-8-17(14)25-20-18(24-2)10-9-16(19(15)20)21(22)23/h5-10,15H,3-4,11-13H2,1-2H3
InChIKey YZKIELSKRLFXJC-UHFFFAOYSA-N
Molecular Weight 337.419 g/mol
SMILES c12c3C(N(CCCC)CCC2c2c(cccc2)Oc1c(cc3)OC)=O
SPLASH splash10-0w2i-0090000000-43bddb7f6353ceea271e
Source of Spectrum HE-2004-2333-2
Wiley ID 1581915