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2-(2-Cyanoethyl)cyclododecyl 4-nitrobenzoate
SpectraBase Compound ID H0Wzajbjq3E
InChI InChI=1S/C22H30N2O4/c23-17-9-11-18-10-7-5-3-1-2-4-6-8-12-21(18)28-22(25)19-13-15-20(16-14-19)24(26)27/h13-16,18,21H,1-12H2
InChIKey AMPFWCQHNWGKNP-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C22H30N2O4
Exact Mass 386.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11Xye9VsmnE
Name 2-(2-Cyanoethyl)cyclododecyl 4-nitrobenzoate
Alternate Name(s) 4-Nitro-benzoic acid 2-(2-cyano-ethyl)-cyclododecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O4
InChI InChI=1S/C22H30N2O4/c23-17-9-11-18-10-7-5-3-1-2-4-6-8-12-21(18)28-22(25)19-13-15-20(16-14-19)24(26)27/h13-16,18,21H,1-12H2
InChIKey AMPFWCQHNWGKNP-UHFFFAOYSA-N
Molecular Weight 386.492 g/mol
SMILES C(CC#N)C1C(CCCCCCCCCC1)OC(=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-0532-9600000000-597a13172c242b0cb341
Wiley ID 1450960