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4-Nitro-13-carbomethoxy[2.2]paracyclophane
SpectraBase Compound ID 9eegnTZD2gd
InChI InChI=1S/C18H17NO4/c1-23-18(20)16-10-12-2-3-13-5-7-15(17(11-13)19(21)22)9-8-14(16)6-4-12/h4-7,10-11H,2-3,8-9H2,1H3
InChIKey UOUIQQRRUOUWJU-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jockij5heA7
Name 4-Nitro-13-carbomethoxy[2.2]paracyclophane
Alternate Name(s) Methyl 12-nitrotricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene-5-carboxylate
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Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-23-18(20)16-10-12-2-3-13-5-7-15(17(11-13)19(21)22)9-8-14(16)6-4-12/h4-7,10-11H,2-3,8-9H2,1H3
InChIKey UOUIQQRRUOUWJU-UHFFFAOYSA-N
Molecular Weight 311.337 g/mol
SMILES c1(N(=O)=O)c2CCc3c(C(=O)OC)cc(CCc(c1)cc2)cc3
SPLASH splash10-0j59-1910000000-e0db9fc3afbfe5c932a9
Source of Spectrum QC-8-3878-10
Wiley ID 870293