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10-Thiabicyclo[19.4.1]hexacosa-2,4,6,8,11,13,15,17,19,21,23,25-dodecaene, (all-Z)-
SpectraBase Compound ID GY9RHqjJr2y
InChI InChI=1S/C25H24S/c1-2-5-9-15-21-26-22-16-10-6-4-8-12-18-25-20-14-13-19-24(23-25)17-11-7-3-1/h1-22H,23H2/b2-1-,7-3-,8-4-,9-5-,10-6-,17-11-,18-12-,21-15-,22-16-
InChIKey ZICHFLBEJMYSSY-UHRUMKJQSA-N
Mol Weight 356.53 g/mol
Molecular Formula C25H24S
Exact Mass 356.159872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEexChJZSD2
Name 10-Thiabicyclo[19.4.1]hexacosa-2,4,6,8,11,13,15,17,19,21,23,25-dodecaene, (all-Z)-
CAS Registry Number 128654-29-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24S
InChI InChI=1S/C25H24S/c1-2-5-9-15-21-26-22-16-10-6-4-8-12-18-25-20-14-13-19-24(23-25)17-11-7-3-1/h1-22H,23H2/b2-1-,7-3-,8-4-,9-5-,10-6-,17-11-,18-12-,21-15-,22-16-
InChIKey ZICHFLBEJMYSSY-UHRUMKJQSA-N
Molecular Weight 356.527 g/mol
SMILES C1=2\C=C/C=C\C=C/C=C\S\C=C/C=C\C=C/C=C\C=C/C(=CC=CC2)C1
SPLASH splash10-00di-0009000000-2f66c56ed322a0a31a75
Source of Spectrum KC-1990-343-12
Synonyms 10,15-Methanothia[25]annulene 10-thiabicyclo[19.4.1]hexacosa-1(25),2,4,6,8,11,13,15,17,19,21,23-dodecaene
Wiley ID 1346236