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Tricyclo[4.1.0.02,7]hept-4-en-3-ol, 3,5-dinitrobenzoate
SpectraBase Compound ID F8gc0e9Z7n
InChI InChI=1S/C14H10N2O6/c17-14(22-10-2-1-9-11-12(9)13(10)11)6-3-7(15(18)19)5-8(4-6)16(20)21/h1-5,9-13H
InChIKey OCFHPLMGJWNFEF-UHFFFAOYSA-N
Mol Weight 302.24 g/mol
Molecular Formula C14H10N2O6
Exact Mass 302.053886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vWurBKKQYP
Name Tricyclo[4.1.0.02,7]hept-4-en-3-ol, 3,5-dinitrobenzoate
Alternate Name(s) 3,5-Dinitrobenzoat tricyclo[4.1.0.0(2,7)]hept-4-en-3-yl 3,5-dinitrobenzoate
CAS Registry Number 59574-43-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10N2O6
InChI InChI=1S/C14H10N2O6/c17-14(22-10-2-1-9-11-12(9)13(10)11)6-3-7(15(18)19)5-8(4-6)16(20)21/h1-5,9-13H
InChIKey OCFHPLMGJWNFEF-UHFFFAOYSA-N
Molecular Weight 302.242 g/mol
SMILES C12C3C2C(OC(c2cc(N(=O)=O)cc(N(=O)=O)c2)=O)C=CC13
SPLASH splash10-004i-9000000000-1bbb462f355616183110
Source of Spectrum K-119-153-29
Wiley ID 1304320