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(3aS,4S,7R,7aS)-ethyl-7-acetamido-4-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxole-4-carboxylate
SpectraBase Compound ID I781gZI2REI
InChI InChI=1S/C14H21NO6/c1-5-19-12(17)14(18)7-6-9(15-8(2)16)10-11(14)21-13(3,4)20-10/h6-7,9-11,18H,5H2,1-4H3,(H,15,16)/t9-,10+,11+,14+/m1/s1
InChIKey HDMNFQUAAIVOJM-ZHPDPMBESA-N
Mol Weight 299.32 g/mol
Molecular Formula C14H21NO6
Exact Mass 299.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KevzmxdZ08g
Name (3aS,4S,7R,7aS)-ethyl-7-acetamido-4-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxole-4-carboxylate
Alternate Name(s) (3aS,4S,7R,7aS)-ethyl 7-acetamido-4-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxole-4-carboxylate Ethyl (3aS,4S,7R,7aS)-7-acetamido-4-hydroxy-2,2-dimethyl-7,7a-dihydro-3aH-1,3-benzodioxole-4-carboxylate Ethyl (3aS,4S,7R,7aS)-7-acetamido-2,2-dimethyl-4-oxidanyl-7,7a-dihydro-3aH-1,3-benzodioxole-4-carboxylate
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Formula C14H21NO6
InChI InChI=1S/C14H21NO6/c1-5-19-12(17)14(18)7-6-9(15-8(2)16)10-11(14)21-13(3,4)20-10/h6-7,9-11,18H,5H2,1-4H3,(H,15,16)/t9-,10+,11+,14+/m1/s1
InChIKey HDMNFQUAAIVOJM-ZHPDPMBESA-N
Literature Reference DOI 10.1002/adsc.200900844
Molecular Weight 299.323 g/mol
SMILES N([C@@]1(C=C[C@]([C@]2(OC(O[C@@]12[H])(C)C)[H])(C(=O)OCC)O)[H])C(=O)C
SPLASH splash10-001m-9400000000-e4e05176a9198c7904fd
Source of Spectrum ASC-352-195/SM5-6
Wiley ID 1763867