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Cyclooctanemethanol, 2,4-dinitrobenzoate
SpectraBase Compound ID KREaQMqtaqH
InChI InChI=1S/C16H20N2O6/c19-16(24-11-12-6-4-2-1-3-5-7-12)14-9-8-13(17(20)21)10-15(14)18(22)23/h8-10,12H,1-7,11H2
InChIKey HIXNAJUPBDBRTO-UHFFFAOYSA-N
Mol Weight 336.34 g/mol
Molecular Formula C16H20N2O6
Exact Mass 336.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 557nVOxRJtE
Name Cyclooctanemethanol, 2,4-dinitrobenzoate
Alternate Name(s) Cyclooctylmethyl 2,4-dinitrobenzoate
CAS Registry Number 18387-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O6
InChI InChI=1S/C16H20N2O6/c19-16(24-11-12-6-4-2-1-3-5-7-12)14-9-8-13(17(20)21)10-15(14)18(22)23/h8-10,12H,1-7,11H2
InChIKey HIXNAJUPBDBRTO-UHFFFAOYSA-N
Molecular Weight 336.344 g/mol
SMILES c1(N(=O)=O)c(C(OCC2CCCCCCC2)=O)ccc(N(=O)=O)c1
SPLASH splash10-0002-9500000000-2ae28595376e8c74cf23
Source of Spectrum AJ-59-1198-2
Wiley ID 1332181