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[18]-Annulene

View entire compound with spectra: 1 MS (GC)

[18]-Annulene
SpectraBase Compound ID 2MYPo0WasrL
InChI InChI=1S/C18H18/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-18H/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7+,10-8+,11-9+,12-10+,13-11-,14-12-,15-13+,16-14+,17-15+,18-16+,18-17-
InChIKey STQWAGYDANTDNA-DWSNDWDZSA-N
Mol Weight 234.34 g/mol
Molecular Formula C18H18
Exact Mass 234.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8c15BlaAfdO
Name [18]-Annulene
Alternate Name(s) (1,3,5,7,9,11,13,15,17)-Cyclooctadecanonaene 2,4,6,8,10,12,14,16,18-Cyclooctadecanonaene
CAS Registry Number 2040-73-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18
InChI InChI=1S/C18H18/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-18H/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7+,10-8+,11-9+,12-10+,13-11-,14-12-,15-13+,16-14+,17-15+,18-16+,18-17-
InChIKey STQWAGYDANTDNA-DWSNDWDZSA-N
Molecular Weight 234.342 g/mol
SMILES \C1=C\C=C/C=C/C=C/C=C\C=C\C=C\C=C/C=C/1
SPLASH splash10-00o3-3930000000-1aaaab29099a15124b10
Wiley ID 1489601