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2-(E)-Hexenoic acid, (4S)-[(t-butoxycarbonyl)amino-5-methyl-, methyl ester
SpectraBase Compound ID Dnh7Jt01021
InChI InChI=1S/C13H23NO4/c1-9(2)10(7-8-11(15)17-6)14-12(16)18-13(3,4)5/h7-10H,1-6H3,(H,14,16)/b8-7+
InChIKey BSKGVHBZBPXIMG-BQYQJAHWSA-N
Mol Weight 257.33 g/mol
Molecular Formula C13H23NO4
Exact Mass 257.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1X8ot4QpRDD
Name 2-(E)-Hexenoic acid, (4S)-[(t-butoxycarbonyl)amino-5-methyl-, methyl ester
Alternate Name(s) (E)-4-(tert-butoxycarbonylamino)-5-methyl-hex-2-enoic acid methyl ester (E)-5-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-hexenoic acid methyl ester Methyl (2E)-4-[(tert-butoxycarbonyl)amino]-5-methyl-2-hexenoate Methyl (E)-4-(tert-butoxycarbonylamino)-5-methyl-hex-2-enoate Methyl (E)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CAS Registry Number 207924-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NO4
InChI InChI=1S/C13H23NO4/c1-9(2)10(7-8-11(15)17-6)14-12(16)18-13(3,4)5/h7-10H,1-6H3,(H,14,16)/b8-7+
InChIKey BSKGVHBZBPXIMG-BQYQJAHWSA-N
Molecular Weight 257.330 g/mol
SMILES N(C(OC(C)(C)C)=O)C(\C=C\C(=O)OC)C(C)C
SPLASH splash10-0bt9-9610000000-06fdc0ffc39d1b91ecb1
Wiley ID 1491372