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Methyl 3-[(3-{[(tert-Butoxy)carbonyl]amino}-3-methylbutanoyl)amino]-3-methylbutanoate
SpectraBase Compound ID 90gyjr4ySd5
InChI InChI=1S/C16H30N2O5/c1-14(2,3)23-13(21)18-15(4,5)9-11(19)17-16(6,7)10-12(20)22-8/h9-10H2,1-8H3,(H,17,19)(H,18,21)
InChIKey OURFTDNOXKIPFL-UHFFFAOYSA-N
Mol Weight 330.43 g/mol
Molecular Formula C16H30N2O5
Exact Mass 330.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CB6uClArp11
Name Methyl 3-[(3-{[(tert-Butoxy)carbonyl]amino}-3-methylbutanoyl)amino]-3-methylbutanoate
Alternate Name(s) Boc-beta(3,3)-HAib-(beta-(3,3)HAib-OMe Methyl 3-(3-((tert-butoxycarbonyl)amino)-3-methylbutanamido)-3-methylbutanoate
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Formula C16H30N2O5
InChI InChI=1S/C16H30N2O5/c1-14(2,3)23-13(21)18-15(4,5)9-11(19)17-16(6,7)10-12(20)22-8/h9-10H2,1-8H3,(H,17,19)(H,18,21)
InChIKey OURFTDNOXKIPFL-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1522-2675(19981216)81_12_2218
Molecular Weight 330.425 g/mol
SMILES N(C(CC(NC(=O)OC(C)(C)C)(C)C)=O)C(CC(=O)OC)(C)C
SPLASH splash10-066r-2920000000-47bb92c7fcf31f755b24
Source of Spectrum H-81-2233-18a
Wiley ID 1787464