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2-[4-(tert-butoxycarbonylamino)phenyl]hex-5-ynoic acid
SpectraBase Compound ID L5M1z7xfCoW
InChI InChI=1S/C17H21NO4/c1-5-6-7-14(15(19)20)12-8-10-13(11-9-12)18-16(21)22-17(2,3)4/h1,8-11,14H,6-7H2,2-4H3,(H,18,21)(H,19,20)
InChIKey OZACTRWECVWPOG-UHFFFAOYSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6XfQLQmLDs
Name 2-[4-(tert-butoxycarbonylamino)phenyl]hex-5-ynoic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-5-6-7-14(15(19)20)12-8-10-13(11-9-12)18-16(21)22-17(2,3)4/h1,8-11,14H,6-7H2,2-4H3,(H,18,21)(H,19,20)
InChIKey OZACTRWECVWPOG-UHFFFAOYSA-N
Molecular Weight 303.358 g/mol
SMILES N(c1ccc(C(C(=O)O)CCC#C)cc1)C(=O)OC(C)(C)C
SPLASH splash10-0a4i-9130000000-d86a5bc857ebd4f2ecbc
Source of Spectrum E1-35-4156-7
Synonyms 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]hex-5-ynoic acid 2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-5-hexynoic acid
Wiley ID 1574499