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Diethyl 3-(N-acetylamino)-4,6-diethyl-trans-3,4-dihydrophthalate
SpectraBase Compound ID 8WzuHCd4Hqn
InChI InChI=1S/C18H27NO5/c1-6-12-10-13(7-2)16(19-11(5)20)15(18(22)24-9-4)14(12)17(21)23-8-3/h10,13,16H,6-9H2,1-5H3,(H,19,20)/t13-,16+/m0/s1
InChIKey BBBKIUIFHHFJMK-XJKSGUPXSA-N
Mol Weight 337.42 g/mol
Molecular Formula C18H27NO5
Exact Mass 337.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LLeGXzhaWX
Name Diethyl 3-(N-acetylamino)-4,6-diethyl-trans-3,4-dihydrophthalate
Alternate Name(s) Diethyl (5S,6R)-6-(acetylamino)-3,5-diethyl-1,3-cyclohexadiene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO5
InChI InChI=1S/C18H27NO5/c1-6-12-10-13(7-2)16(19-11(5)20)15(18(22)24-9-4)14(12)17(21)23-8-3/h10,13,16H,6-9H2,1-5H3,(H,19,20)/t13-,16+/m0/s1
InChIKey BBBKIUIFHHFJMK-XJKSGUPXSA-N
Molecular Weight 337.416 g/mol
SMILES N([C@]1(C(=C(C(CC)=C[C@@]1(CC)[H])C(=O)OCC)C(=O)OCC)[H])C(=O)C
SPLASH splash10-01r6-1950000000-67587196891a6391ab68
Source of Spectrum QF-9-2280-2
Wiley ID 1558419