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Geranylgeranyl p-nitrobenzoate
SpectraBase Compound ID F0i9DPwfEVX
InChI InChI=1S/C27H37NO4/c1-21(2)9-6-10-22(3)11-7-12-23(4)13-8-14-24(5)19-20-32-27(29)25-15-17-26(18-16-25)28(30)31/h9,11,13,15-19H,6-8,10,12,14,20H2,1-5H3/b22-11+,23-13+,24-19+
InChIKey KAJBUXACVMLRFN-RWZQZQBGSA-N
Mol Weight 439.6 g/mol
Molecular Formula C27H37NO4
Exact Mass 439.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lbqe4rMpA8a
Name Geranylgeranyl p-nitrobenzoate
Alternate Name(s) [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] 4-nitrobenzoate
CAS Registry Number 88661-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO4
InChI InChI=1S/C27H37NO4/c1-21(2)9-6-10-22(3)11-7-12-23(4)13-8-14-24(5)19-20-32-27(29)25-15-17-26(18-16-25)28(30)31/h9,11,13,15-19H,6-8,10,12,14,20H2,1-5H3/b22-11+,23-13+,24-19+
InChIKey KAJBUXACVMLRFN-RWZQZQBGSA-N
Molecular Weight 439.596 g/mol
SMILES c1(N(=O)=O)ccc(C(=O)OC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)cc1
SPLASH splash10-0159-9200000000-5e2fccac77f2436f145c
Source of Spectrum KC-1990-2269-24
Wiley ID 1384470