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1,9-Diethyl-6,8,9,10-tetrahydro-5H-7-oxa-10-azabenzo[a]azulene-9-carboxylic acid
SpectraBase Compound ID 9s9fYUnrTAU
InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-10-17(4-2,16(19)20)15(13)18-14(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
InChIKey UPPKVNGNPCKQPG-UHFFFAOYSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65wv7ZLmA8s
Name 1,9-Diethyl-6,8,9,10-tetrahydro-5H-7-oxa-10-azabenzo[a]azulene-9-carboxylic acid
Alternate Name(s) 5,7-diethyl-1,4,5,6-tetrahydro-2H-oxepino[4,5-b]indole-5-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-10-17(4-2,16(19)20)15(13)18-14(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
InChIKey UPPKVNGNPCKQPG-UHFFFAOYSA-N
Molecular Weight 287.359 g/mol
SMILES OC(C1(c2c(CCOC1)c1cccc(c1[nH]2)CC)CC)=O
SPLASH splash10-000l-0090000000-8da63a20c8b0ba450719
Source of Spectrum H1-51-1536-20
Wiley ID 817325