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2-(3',5'-Dinitrobenzoyloxy)-8-methyl-13-oxatricyclo[7.3.2.0(3,8)]tetradecan-14-one

View entire compound with spectra: 1 MS (GC)

2-(3',5'-Dinitrobenzoyloxy)-8-methyl-13-oxatricyclo[7.3.2.0(3,8)]tetradecan-14-one
SpectraBase Compound ID LSHa2nTDxGZ
InChI InChI=1S/C21H24N2O8/c1-21-8-3-2-5-15(21)18(17-7-4-6-16(21)20(25)30-17)31-19(24)12-9-13(22(26)27)11-14(10-12)23(28)29/h9-11,15-18H,2-8H2,1H3/t15?,16-,17-,18?,21?/m0/s1
InChIKey IKHLPDJKBSWGKG-KQPHDWAUSA-N
Mol Weight 432.43 g/mol
Molecular Formula C21H24N2O8
Exact Mass 432.153266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bh7cBzuCAII
Name 2-(3',5'-Dinitrobenzoyloxy)-8-methyl-13-oxatricyclo[7.3.2.0(3,8)]tetradecan-14-one
Alternate Name(s) 2-Methyl-13-oxo-14-oxatricyclo[7.3.2.0(2,7)]tetradec-8-yl 3,5-dinitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O8
InChI InChI=1S/C21H24N2O8/c1-21-8-3-2-5-15(21)18(17-7-4-6-16(21)20(25)30-17)31-19(24)12-9-13(22(26)27)11-14(10-12)23(28)29/h9-11,15-18H,2-8H2,1H3/t15?,16-,17-,18?,21?/m0/s1
InChIKey IKHLPDJKBSWGKG-KQPHDWAUSA-N
Molecular Weight 432.429 g/mol
SMILES [C@]12(C(C3CCCCC3([C@@](CCC1)(C(O2)=O)[H])C)OC(c1cc(cc(c1)N(=O)=O)N(=O)=O)=O)[H]
SPLASH splash10-006w-9430000000-84a33c5cc93b13f515e1
Source of Spectrum D8-323-129-11
Wiley ID 1513567