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Ethyl 2-allyl-4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate isomer
SpectraBase Compound ID DiRECXhLS1p
InChI InChI=1S/C21H21NO4/c1-3-14-21(20(24)25-4-2)19(23)22(15-16-10-6-5-7-11-16)17-12-8-9-13-18(17)26-21/h3,5-13H,1,4,14-15H2,2H3
InChIKey RHNHYUHDXXOZMI-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UegpH9Gscp
Name Ethyl 2-allyl-4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate isomer
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Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-3-14-21(20(24)25-4-2)19(23)22(15-16-10-6-5-7-11-16)17-12-8-9-13-18(17)26-21/h3,5-13H,1,4,14-15H2,2H3
InChIKey RHNHYUHDXXOZMI-UHFFFAOYSA-N
Molecular Weight 351.402 g/mol
SMILES C1(C(N(Cc2ccccc2)c2c(O1)cccc2)=O)(C(=O)OCC)CC=C
SPLASH splash10-0f96-9158000000-c6ebab126ca404514e2a
Source of Spectrum F-54-9696-7
Synonyms Ethyl 2-allyl-4-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Wiley ID 808184