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Dispiro[2,4,6-cycloheptatriene-1,3'-thietane-2',2''-tricyclo[3.3.1.13 ,7]decan]-4'-one
SpectraBase Compound ID 4SkcxHe7hJZ
InChI InChI=1S/C18H20OS/c19-16-17(5-3-1-2-4-6-17)18(20-16)14-8-12-7-13(10-14)11-15(18)9-12/h1-6,12-15H,7-11H2/t12-,13+,14-,15+,18?
InChIKey OUZMNEMSZSGLEX-SPJIPBMUSA-N
Mol Weight 284.42 g/mol
Molecular Formula C18H20OS
Exact Mass 284.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46wqs0AGjgs
Name Dispiro[2,4,6-cycloheptatriene-1,3'-thietane-2',2''-tricyclo[3.3.1.13 ,7]decan]-4'-one
CAS Registry Number 91894-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20OS
InChI InChI=1S/C18H20OS/c19-16-17(5-3-1-2-4-6-17)18(20-16)14-8-12-7-13(10-14)11-15(18)9-12/h1-6,12-15H,7-11H2/t12-,13+,14-,15+,18?
InChIKey OUZMNEMSZSGLEX-SPJIPBMUSA-N
Molecular Weight 284.417 g/mol
SMILES C12(C3(C=CC=CC=C3)C(S1)=O)[C@]1(C[C@]3(C[C@@]2(C[C@@](C1)(C3)[H])[H])[H])[H]
SPLASH splash10-014i-3910000000-701d13c3f4a174d706c1
Source of Spectrum K-117-2403-0
Synonyms 3',8a,-dihydrospiro[adamantane-2,1'-]1H[cyclohepta[c]thiophen]-3'-one Dispiro[2,4,6-cycloheptatriene-1,3'-thietane-2',2''-tricyclo[3.3.1.13 ,7]decan]-4'-one Dispiro[adamantane-2,2'-thietane-3',1''-[2,4,6]cycloheptatriene]-4'-one dispiro[adamantane-2,2'-thietane-3',1''-cycloheptane]-2'',4'',6''-trien-4'-one Dispiro[adamantane-2,2'-thietane-3',1''-[2,4,6]cycloheptatriene]-4'-one
Wiley ID 1288219