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3-([3-(Hexyloxy)anilino]carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID I36jgWBQYGt
InChI InChI=1S/C21H27NO4/c1-2-3-4-5-11-26-17-8-6-7-16(13-17)22-20(23)18-14-9-10-15(12-14)19(18)21(24)25/h6-10,13-15,18-19H,2-5,11-12H2,1H3,(H,22,23)(H,24,25)/t14-,15+,18-,19-/m0/s1
InChIKey LWYZNDOZLYLXEY-QXGSTGNESA-N
Mol Weight 357.45 g/mol
Molecular Formula C21H27NO4
Exact Mass 357.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dvr9c8OYUpO
Name 3-([3-(Hexyloxy)anilino]carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO4
InChI InChI=1S/C21H27NO4/c1-2-3-4-5-11-26-17-8-6-7-16(13-17)22-20(23)18-14-9-10-15(12-14)19(18)21(24)25/h6-10,13-15,18-19H,2-5,11-12H2,1H3,(H,22,23)(H,24,25)/t14-,15+,18-,19-/m0/s1
InChIKey LWYZNDOZLYLXEY-QXGSTGNESA-N
Molecular Weight 357.450 g/mol
SMILES N(C([C@]1([C@]2(C=C[C@@]([C@@]1(C(=O)O)[H])(C2)[H])[H])[H])=O)c1cc(ccc1)OCCCCCC
SPLASH splash10-0ap3-9600000000-1665b6c0033ae733073d
Synonyms 2-[(3-hexoxyanilino)-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid 2-[(3-hexoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
Wiley ID 1467874