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(2E)-4-[(tert-Butoxycarbonyl)amino]-6-methyl-2-heptenoic acid
SpectraBase Compound ID 4qtaady5ls5
InChI InChI=1S/C13H23NO4/c1-9(2)8-10(6-7-11(15)16)14-12(17)18-13(3,4)5/h6-7,9-10H,8H2,1-5H3,(H,14,17)(H,15,16)/b7-6+
InChIKey LYYSVOILUMJTEH-VOTSOKGWSA-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 HtBMzN9tD4q
Name (2E)-4-[(tert-Butoxycarbonyl)amino]-6-methyl-2-heptenoic acid
CAS Registry Number 101670-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NO4
InChI InChI=1S/C13H23NO4/c1-9(2)8-10(6-7-11(15)16)14-12(17)18-13(3,4)5/h6-7,9-10H,8H2,1-5H3,(H,14,17)(H,15,16)/b7-6+
InChIKey LYYSVOILUMJTEH-VOTSOKGWSA-N
Molecular Weight 257.330 g/mol
SMILES N(C(OC(C)(C)C)=O)C(\C=C\C(=O)O)CC(C)C
SPLASH splash10-0a4i-9400000000-b66d8797c827baff401b
Synonyms (E)-4-(tert-butoxycarbonylamino)-6-methyl-hept-2-enoic acid (E)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-enoic acid (E)-6-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-heptenoic acid 2-Heptenoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-6-methyl-, [S-(E)]-
Wiley ID 1492156