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Tricyclo[4.1.0.02,7]hept-4-en-3-ol, 4-bromo-, 3,5-dinitrobenzoate
SpectraBase Compound ID aa0CMeKqUL
InChI InChI=1S/C14H9BrN2O6/c15-9-4-8-10-11(8)12(10)13(9)23-14(18)5-1-6(16(19)20)3-7(2-5)17(21)22/h1-4,8,10-13H
InChIKey ITAWBTGQFUMLFI-UHFFFAOYSA-N
Mol Weight 381.14 g/mol
Molecular Formula C14H9BrN2O6
Exact Mass 379.964399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kuc0JvzbTF
Name Tricyclo[4.1.0.02,7]hept-4-en-3-ol, 4-bromo-, 3,5-dinitrobenzoate
CAS Registry Number 59574-41-3
Comments Less than 3 mono-isotopic peaks
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Formula C14H9BrN2O6
InChI InChI=1S/C14H9BrN2O6/c15-9-4-8-10-11(8)12(10)13(9)23-14(18)5-1-6(16(19)20)3-7(2-5)17(21)22/h1-4,8,10-13H
InChIKey ITAWBTGQFUMLFI-UHFFFAOYSA-N
Molecular Weight 381.138 g/mol
SMILES C12C3C2C(C(Br)=CC13)OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O
SPLASH splash10-0002-0900000000-215807d9810354eb1001
Source of Spectrum K-119-150-27
Synonyms 4-bromotricyclo[4.1.0.0(2,7)]hept-4-en-3-yl 3,5-dinitrobenzoate
Wiley ID 1359465