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9-bromononacyclo[11.7.1.16,18.0(1,16).0(2,11).0(3,8).0(4,19).0(8,17).0(10,15)]docosane
SpectraBase Compound ID JBHgHuTS5al
InChI InChI=1S/C22H27Br/c23-20-15-12-3-8-4-13(15)17-19-11-2-9-1-10-14(11)7-21(17,5-8)16(12)18(10)22(19,20)6-9/h8-20H,1-7H2/t8-,9-,10+,11-,12+,13-,14+,15+,16+,17-,18+,19-,20?,21-,22-
InChIKey QBFYIBPVYFTPGL-RITPTYLYSA-N
Mol Weight 371.36 g/mol
Molecular Formula C22H27Br
Exact Mass 370.129614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaMBTJXKTov
Name 9-bromononacyclo[11.7.1.16,18.0(1,16).0(2,11).0(3,8).0(4,19).0(8,17).0(10,15)]docosane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27Br
InChI InChI=1S/C22H27Br/c23-20-15-12-3-8-4-13(15)17-19-11-2-9-1-10-14(11)7-21(17,5-8)16(12)18(10)22(19,20)6-9/h8-20H,1-7H2/t8-,9-,10+,11-,12+,13-,14+,15+,16+,17-,18+,19-,20?,21-,22-
InChIKey QBFYIBPVYFTPGL-RITPTYLYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 371.362 g/mol
SMILES [C@]12([C@]3(C([C@]45[C@@]6([C@]2([C@]27[C@@]([C@]5([C@]5([C@@]([C@@]6(C[C@](C4)(C5)[H])[H])(C7)[H])[H])[H])([C@@]3(C[C@](C1)(C2)[H])[H])[H])[H])[H])Br)[H])[H]
SPLASH splash10-00xr-0009000000-f4d932d0f4e33e9b67d2
Source of Spectrum US7795468B2
Wiley ID 1874755