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2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl)amino]-6-methyl-, ethyl ester
SpectraBase Compound ID GYJnP4L34mh
InChI InChI=1S/C15H27NO4/c1-7-19-13(17)9-8-12(10-11(2)3)16-14(18)20-15(4,5)6/h8-9,11-12H,7,10H2,1-6H3,(H,16,18)/b9-8+
InChIKey MZMHSVLFRKOOTG-CMDGGOBGSA-N
Mol Weight 285.38 g/mol
Molecular Formula C15H27NO4
Exact Mass 285.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Imto52no94B
Name 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl)amino]-6-methyl-, ethyl ester
CAS Registry Number 136779-19-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H27NO4
InChI InChI=1S/C15H27NO4/c1-7-19-13(17)9-8-12(10-11(2)3)16-14(18)20-15(4,5)6/h8-9,11-12H,7,10H2,1-6H3,(H,16,18)/b9-8+
InChIKey MZMHSVLFRKOOTG-CMDGGOBGSA-N
Molecular Weight 285.384 g/mol
SMILES N(C(OC(C)(C)C)=O)C(\C=C\C(=O)OCC)CC(C)C
SPLASH splash10-056r-9610000000-9111bb5953a694698e72
Synonyms (E)-4-(tert-butoxycarbonylamino)-6-methyl-hept-2-enoic acid ethyl ester (E)-6-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-heptenoic acid ethyl ester Ethyl (2E)-4-[(tert-butoxycarbonyl)amino]-6-methyl-2-heptenoate Ethyl (E)-4-(tert-butoxycarbonylamino)-6-methyl-hept-2-enoate Ethyl (E)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-enoate
Wiley ID 1490863