3-Methyl-5-oxo-3,4,4a,5,7,7a,8,9,10,11,11a,11b-dodecahydrodibenzo[c,e]oxepine-4-carboxylic acid

SpectraBase Compound ID	7sqkJIIwmxP
InChI	InChI=1S/C16H22O4/c1-9-6-7-12-11-5-3-2-4-10(11)8-20-16(19)14(12)13(9)15(17)18/h6-7,9-14H,2-5,8H2,1H3,(H,17,18)/t9?,10-,11+,12?,13?,14?/m1/s1
InChIKey	JQDMLAOUWQPXSW-PQVDPTDZSA-N Google Search
Mol Weight	278.35 g/mol
Molecular Formula	C16H22O4
Exact Mass	278.151809 g/mol

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SpectraBase Spectrum ID	FaDXBfEhIfL
Name	3-Methyl-5-oxo-3,4,4a,5,7,7a,8,9,10,11,11a,11b-dodecahydrodibenzo[c,e]oxepine-4-carboxylic acid
Alternate Name(s)	3-Methyl-5-oxo-3,4,4a,5,7,7a,8,9,10,11,11a,11b-dodecahydrodibenzo[c,e]oxepine-4-carboxylic acid isomer (7aS,11aR)-3-Methyl-5-oxo-3,4,4a,5,7,7a,8,9,10,11,11a,11b-dodecahydrodibenzo[c,e]oxepine-4-carboxylic acid (7aS,11aR)-3-Methyl-5-oxo-3,4,4a,5,7,7a,8,9,10,11,11a,11b-dodecahydrodibenzo[c,e]oxepine-4-carboxylic acid isomer 3-Methyl-5-oxo-3,4,4a,5,7,7a,8,9,10,11,11a,11b-dodecahydrodibenzo[c,e]oxepin-4-carboxylic acid (7aS,11aR)-3-methyl-5-oxo-4,4a,7,7a,8,9,10,11,11a,11b-decahydro-3H-benzo[d][2]benzoxepin-4-carboxylic acid (7aS,11aR)-3-methyl-5-oxo-4,4a,7,7a,8,9,10,11,11a,11b-decahydro-3H-benzo[d][2]benzoxepine-4-carboxylic acid (7aS,11aR)-3-methyl-5-oxidanylidene-4,4a,7,7a,8,9,10,11,11a,11b-decahydro-3H-benzo[d][2]benzoxepine-4-carboxylic acid
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Formula	C16H22O4
InChI	InChI=1S/C16H22O4/c1-9-6-7-12-11-5-3-2-4-10(11)8-20-16(19)14(12)13(9)15(17)18/h6-7,9-14H,2-5,8H2,1H3,(H,17,18)/t9?,10-,11+,12?,13?,14?/m1/s1
InChIKey	JQDMLAOUWQPXSW-PQVDPTDZSA-N
Molecular Weight	278.348 g/mol
SMILES	OC(C1C2C(C=CC1C)[C@@]1([C@@](COC2=O)(CCCC1)[H])[H])=O
SPLASH	splash10-052b-6940000000-fc9f1dd1a3c2291675cd
Source of Spectrum	KC-0-504-12
Wiley ID	785155