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(1S,5R,6R)-9-Benzyl-8-oxo-7-oxa-9-aza-tricyclo[8.4.0.0*1,6*]tetradec-11-ene-5-carboxylic acid methyl ester
SpectraBase Compound ID GCWrElOmZWN
InChI InChI=1S/C21H25NO4/c1-25-19(23)16-10-7-13-21-12-6-5-11-17(21)22(20(24)26-18(16)21)14-15-8-3-2-4-9-15/h2-5,8-9,11,16-18H,6-7,10,12-14H2,1H3/t16-,17-,18-,21-/m1/s1
InChIKey GTXUUYCXIQMBHM-NEYJZJCJSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlCqywdYlez
Name (1S,5R,6R)-9-Benzyl-8-oxo-7-oxa-9-aza-tricyclo[8.4.0.0*1,6*]tetradec-11-ene-5-carboxylic acid methyl ester
Alternate Name(s) (4aR*,7aR*,11S*)-Methyl 7-benzyl-6-oxo-1,2,3,4,4a,6,7,7a,10,-11-decahydrodibenzo[d,e][1,3]oxazine-4-carboxyate
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Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-25-19(23)16-10-7-13-21-12-6-5-11-17(21)22(20(24)26-18(16)21)14-15-8-3-2-4-9-15/h2-5,8-9,11,16-18H,6-7,10,12-14H2,1H3/t16-,17-,18-,21-/m1/s1
InChIKey GTXUUYCXIQMBHM-NEYJZJCJSA-N
Molecular Weight 355.434 g/mol
SMILES C1(N([C@]2([C@]3(CCC[C@]([C@]3(O1)[H])(C(=O)OC)[H])CCC=C2)[H])Cc1ccccc1)=O
SPLASH splash10-0002-0912000000-5e3ff2635f7ea3d666dc
Source of Spectrum F-67-7994-16
Wiley ID 1687612