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Diethyl 3-(N-acetylamino)-4,6-dimethyl-trans-3,4-dihydrophthalate
SpectraBase Compound ID EUG8TWkMzfT
InChI InChI=1S/C16H23NO5/c1-6-21-15(19)12-9(3)8-10(4)14(17-11(5)18)13(12)16(20)22-7-2/h8,10,14H,6-7H2,1-5H3,(H,17,18)/t10-,14+/m0/s1
InChIKey BGCDPDQZBNZZOQ-IINYFYTJSA-N
Mol Weight 309.36 g/mol
Molecular Formula C16H23NO5
Exact Mass 309.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5L5zOLymE1Q
Name Diethyl 3-(N-acetylamino)-4,6-dimethyl-trans-3,4-dihydrophthalate
Alternate Name(s) Diethyl (5S,6R)-6-(acetylamino)-3,5-dimethyl-1,3-cyclohexadiene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO5
InChI InChI=1S/C16H23NO5/c1-6-21-15(19)12-9(3)8-10(4)14(17-11(5)18)13(12)16(20)22-7-2/h8,10,14H,6-7H2,1-5H3,(H,17,18)/t10-,14+/m0/s1
InChIKey BGCDPDQZBNZZOQ-IINYFYTJSA-N
Molecular Weight 309.362 g/mol
SMILES N([C@]1(C(=C(C(C)=C[C@@]1(C)[H])C(=O)OCC)C(=O)OCC)[H])C(=O)C
SPLASH splash10-002e-2960000000-433e71166bfae1897bb2
Source of Spectrum QF-9-2279-2
Wiley ID 1558420