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3-{3-[Benzyl(2-ethoxycarbonylacetyl)amino]-3-methylpent-1-ynyl}benzoic acid methyl ester
SpectraBase Compound ID Jz69xlnjB0j
InChI InChI=1S/C26H29NO5/c1-5-26(3,16-15-20-13-10-14-22(17-20)25(30)31-4)27(19-21-11-8-7-9-12-21)23(28)18-24(29)32-6-2/h7-14,17H,5-6,18-19H2,1-4H3
InChIKey VAVFNFHTZMJSAH-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C26H29NO5
Exact Mass 435.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFnp2NNgHnG
Name 3-{3-[Benzyl(2-ethoxycarbonylacetyl)amino]-3-methylpent-1-ynyl}benzoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C26H29NO5
InChI InChI=1S/C26H29NO5/c1-5-26(3,16-15-20-13-10-14-22(17-20)25(30)31-4)27(19-21-11-8-7-9-12-21)23(28)18-24(29)32-6-2/h7-14,17H,5-6,18-19H2,1-4H3
InChIKey VAVFNFHTZMJSAH-UHFFFAOYSA-N
Molecular Weight 435.520 g/mol
SMILES C(N(C(C#Cc1cc(C(=O)OC)ccc1)(CC)C)Cc1ccccc1)(CC(=O)OCC)=O
SPLASH splash10-0006-9000300000-13c1b139ad0cfa55e5cb
Source of Spectrum F4-0-2026-4
Synonyms methyl 3-{3-[benzyl(3-ethoxy-3-oxopropanoyl)amino]-3-methyl-1-pentynyl}benzoate
Wiley ID 1619939