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Bicyclo[16.4.1]tricosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
SpectraBase Compound ID GuIzG6aVpIJ
InChI InChI=1S/C23H22/c1-2-4-6-8-10-12-14-18-23-20-16-15-19-22(21-23)17-13-11-9-7-5-3-1/h1-20H,21H2/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-,17-13-,18-14-,22-17-,23-18-
InChIKey DUCPFVDQOAWDNT-CAXUNOCKSA-N
Mol Weight 298.43 g/mol
Molecular Formula C23H22
Exact Mass 298.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHpZdpTmnyB
Name Bicyclo[16.4.1]tricosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CAS Registry Number 110977-30-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22
InChI InChI=1S/C23H22/c1-2-4-6-8-10-12-14-18-23-20-16-15-19-22(21-23)17-13-11-9-7-5-3-1/h1-20H,21H2/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-,17-13-,18-14-,22-17-,23-18-
InChIKey DUCPFVDQOAWDNT-CAXUNOCKSA-N
Molecular Weight 298.429 g/mol
SMILES C=1\C=2C\C(C=CC1)=C\C=C/C=C\C=C/C=C\C=C/C=C\C=C/C\2
SPLASH splash10-014j-0980000000-910db46c6d0d015b6906
Source of Spectrum KC-1988-399-16
Synonyms 1,6-Methano[22]annulene
Wiley ID 1301673