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Benzoic acid, 3-cyano-4-(pentyloxy)-, pentyl ester
SpectraBase Compound ID 4esldYK8HnO
InChI InChI=1S/C18H25NO3/c1-3-5-7-11-21-17-10-9-15(13-16(17)14-19)18(20)22-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey IGNGOQGEOSFMGS-UHFFFAOYSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LoYRUTsAX
Name Benzoic acid, 3-cyano-4-(pentyloxy)-, pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-3-5-7-11-21-17-10-9-15(13-16(17)14-19)18(20)22-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey IGNGOQGEOSFMGS-UHFFFAOYSA-N
Molecular Weight 303.402 g/mol
SMILES CCCCCOC(=O)c1ccc(OCCCCC)c(C#N)c1
SPLASH splash10-0006-9200000000-87eb8adc7464e05c9d0a
Source of Spectrum JX-2015-2-1741
Synonyms Pentyl 3-cyano-4-(pentyloxy)benzoate 3-Cyano-4-pentoxybenzoic acid pentyl ester Pentyl 3-cyano-4-pentoxybenzoate Pentyl 3-cyano-4-pentoxy-benzoate
Wiley ID 1723364