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(6-([(3,5-Dinitrobenzoyl)oxy]methyl)-4-isopropyl-1,7-dimethylbicyclo[3.2.1]oct-6-en-8-yl)methyl 3,5-dinitrobenzoate
SpectraBase Compound ID DXKzXk9s1yw
InChI InChI=1S/C29H30N4O12/c1-15(2)23-5-6-29(4)16(3)24(13-44-27(34)17-7-19(30(36)37)11-20(8-17)31(38)39)26(23)25(29)14-45-28(35)18-9-21(32(40)41)12-22(10-18)33(42)43/h7-12,15,23,25-26H,5-6,13-14H2,1-4H3/t23-,25?,26+,29-/m0/s1
InChIKey GEBNZNVDJLMQPC-UHFFFAOYSA-N
Mol Weight 626.58 g/mol
Molecular Formula C29H30N4O12
Exact Mass 626.186022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72CKUFeHf1q
Name (6-([(3,5-Dinitrobenzoyl)oxy]methyl)-4-isopropyl-1,7-dimethylbicyclo[3.2.1]oct-6-en-8-yl)methyl 3,5-dinitrobenzoate
CAS Registry Number 4747-58-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30N4O12
InChI InChI=1S/C29H30N4O12/c1-15(2)23-5-6-29(4)16(3)24(13-44-27(34)17-7-19(30(36)37)11-20(8-17)31(38)39)26(23)25(29)14-45-28(35)18-9-21(32(40)41)12-22(10-18)33(42)43/h7-12,15,23,25-26H,5-6,13-14H2,1-4H3/t23-,25?,26+,29-/m0/s1
InChIKey GEBNZNVDJLMQPC-UHFFFAOYSA-N
Molecular Weight 626.575 g/mol
SMILES C=1([C@]2([C@@](CC[C@@](C1C)(C2COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)C)(C(C)C)[H])[H])COC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O
SPLASH splash10-006x-9500000000-8e6ca3a09764e7009abf
Synonyms [7-[(3,5-dinitrobenzoyl)oxymethyl]-2-isopropyl-5,6-dimethyl-8-bicyclo[3.2.1]oct-6-enyl]methyl 3,5-dinitrobenzoate [7-[(3,5-dinitrobenzoyl)oxymethyl]-5,6-dimethyl-2-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methyl 3,5-dinitrobenzoate [7-[(3,5-dinitrophenyl)carbonyloxymethyl]-5,6-dimethyl-2-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methyl 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid [7-[[(3,5-dinitrophenyl)-oxomethoxy]methyl]-5,6-dimethyl-2-propan-2-yl-8-bicyclo[3.2.1]oct-6-enyl]methyl ester
Wiley ID 1483347