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3-(syn-16' -Bromopentacyclo[6.6.3.0(2,7).0(9,14).0(15,17)]heptadeca-2',4',6',9',11',13'-hexaen-anti-16' -yl)cyclopentan-1-one

View entire compound with spectra: 1 MS (GC)

3-(syn-16' -Bromopentacyclo[6.6.3.0(2,7).0(9,14).0(15,17)]heptadeca-2',4',6',9',11',13'-hexaen-anti-16' -yl)cyclopentan-1-one
SpectraBase Compound ID 9Q3nOTwFHv5
InChI InChI=1S/C22H19BrO/c23-22(12-9-10-13(24)11-12)20-18-14-5-1-2-6-15(14)19(21(20)22)17-8-4-3-7-16(17)18/h1-8,12,18-21H,9-11H2/t12?,18-,19+,20-,21+,22-
InChIKey SGALGRCDSVZUJU-PTYBXJAGSA-N
Mol Weight 379.3 g/mol
Molecular Formula C22H19BrO
Exact Mass 378.061928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Vt6VQDjxZJ
Name 3-(syn-16' -Bromopentacyclo[6.6.3.0(2,7).0(9,14).0(15,17)]heptadeca-2',4',6',9',11',13'-hexaen-anti-16' -yl)cyclopentan-1-one
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Formula C22H19BrO
InChI InChI=1S/C22H19BrO/c23-22(12-9-10-13(24)11-12)20-18-14-5-1-2-6-15(14)19(21(20)22)17-8-4-3-7-16(17)18/h1-8,12,18-21H,9-11H2/t12?,18-,19+,20-,21+,22-
InChIKey SGALGRCDSVZUJU-PTYBXJAGSA-N
Molecular Weight 379.297 g/mol
SMILES [C@]1([C@@]2([C@]3(c4ccccc4[C@@]([C@]12[H])(c1ccccc31)[H])[H])[H])(C1CC(=O)CC1)Br
SPLASH splash10-014j-7971000000-180f12ad945c94a98529
Source of Spectrum H-77-1374-17
Synonyms 3-(16-bromopentacyclo[6.6.3.0(2,7).0(9,14).0(15,17)]heptadeca-2,4,6,9,11,13-hexaen-16-yl)cyclopentanone
Wiley ID 1358837