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Benzyl 3-{[(t-butoxy)carbonyl]amino}-2,5-dimethylhexanoate
SpectraBase Compound ID K8lxHzovx5F
InChI InChI=1S/C20H31NO4/c1-14(2)12-17(21-19(23)25-20(4,5)6)15(3)18(22)24-13-16-10-8-7-9-11-16/h7-11,14-15,17H,12-13H2,1-6H3,(H,21,23)
InChIKey IPWBSDPMPIEMFM-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkUGoRcTwZl
Name Benzyl 3-{[(t-butoxy)carbonyl]amino}-2,5-dimethylhexanoate
Alternate Name(s) benzyl 3-[(tert-butoxycarbonyl)amino]-2,5-dimethylhexanoate
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Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-14(2)12-17(21-19(23)25-20(4,5)6)15(3)18(22)24-13-16-10-8-7-9-11-16/h7-11,14-15,17H,12-13H2,1-6H3,(H,21,23)
InChIKey IPWBSDPMPIEMFM-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES N(C(C(C(=O)OCc1ccccc1)C)CC(C)C)C(=O)OC(C)(C)C
SPLASH splash10-000x-6900000000-a82ec11018d3db3ae7b4
Source of Spectrum H-83-49-0
Wiley ID 846985