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Methyl 6-Bromoundecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane-1-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 6-Bromoundecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane-1-carboxylate
SpectraBase Compound ID 8euesL0HSN3
InChI InChI=1S/C22H21BrO2/c1-25-20(24)21-14-4-2-3-5(14)9-11-7(3)17-6(2)10-8(4)15(21)12-13(16(9)21)19(11)22(17,23)18(10)12/h2-19H,1H3
InChIKey NHPVBIOWSITCOJ-UHFFFAOYSA-N
Mol Weight 397.31 g/mol
Molecular Formula C22H21BrO2
Exact Mass 396.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NtaeCPJPfx
Name Methyl 6-Bromoundecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane-1-carboxylate
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Formula C22H21BrO2
InChI InChI=1S/C22H21BrO2/c1-25-20(24)21-14-4-2-3-5(14)9-11-7(3)17-6(2)10-8(4)15(21)12-13(16(9)21)19(11)22(17,23)18(10)12/h2-19H,1H3
InChIKey NHPVBIOWSITCOJ-UHFFFAOYSA-N
Molecular Weight 397.312 g/mol
SMILES C12(C3C4C5C6C7C8C9C(C2C2C9C7(C7C2C1C4C67)Br)C3C58)C(=O)OC
SPLASH splash10-0a4i-1293000000-0da2a9d86cb6205331b8
Source of Spectrum F-53-10036-40
Wiley ID 803001