Benzoic acid, 4-[(2-tricyclo[3.3.1.1(3,7)]dec-1-ylacetyl)amino]-, heptyl ester

SpectraBase Compound ID	4mzJkZCzyvm
InChI	InChI=1S/C26H37NO3/c1-2-3-4-5-6-11-30-25(29)22-7-9-23(10-8-22)27-24(28)18-26-15-19-12-20(16-26)14-21(13-19)17-26/h7-10,19-21H,2-6,11-18H2,1H3,(H,27,28)/t19-,20+,21-,26-
InChIKey	PLRFIUKTBYCEML-AFJPGINASA-N Google Search
Mol Weight	411.6 g/mol
Molecular Formula	C26H37NO3
Exact Mass	411.277344 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	9heMuHf55kv
Name	Benzoic acid, 4-[(2-tricyclo[3.3.1.1(3,7)]dec-1-ylacetyl)amino]-, heptyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	411.277344052 u
Formula	C26H37NO3
InChI	InChI=1S/C26H37NO3/c1-2-3-4-5-6-11-30-25(29)22-7-9-23(10-8-22)27-24(28)18-26-15-19-12-20(16-26)14-21(13-19)17-26/h7-10,19-21H,2-6,11-18H2,1H3,(H,27,28)/t19-,20+,21-,26-
InChIKey	PLRFIUKTBYCEML-AFJPGINASA-N
Molecular Weight	411.586 g/mol
SMILES	C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])CC(NC=1C=CC(=CC1)C(OCCCCCCC)=O)=O