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2,3,5,6,7,8-hexahydro-1H,4H-azulen-1-one (S,S)-hydrobenzoin ketal
SpectraBase Compound ID E4QgxdOwc4v
InChI InChI=1S/C24H26O2/c1-5-11-19(12-6-1)22-23(20-13-7-2-8-14-20)26-24(25-22)17-16-18-10-4-3-9-15-21(18)24/h1-2,5-8,11-14,22-23H,3-4,9-10,15-17H2
InChIKey IOWFSIUSVHITGV-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C24H26O2
Exact Mass 346.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrPAUedUAbz
Name 2,3,5,6,7,8-hexahydro-1H,4H-azulen-1-one (S,S)-hydrobenzoin ketal
CAS Registry Number 117583-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O2
InChI InChI=1S/C24H26O2/c1-5-11-19(12-6-1)22-23(20-13-7-2-8-14-20)26-24(25-22)17-16-18-10-4-3-9-15-21(18)24/h1-2,5-8,11-14,22-23H,3-4,9-10,15-17H2
InChIKey IOWFSIUSVHITGV-UHFFFAOYSA-N
Molecular Weight 346.470 g/mol
SMILES C12(OC(c3ccccc3)C(O1)c1ccccc1)C1=C(CCCCC1)CC2
SPLASH splash10-0005-1910000000-9b918d4d90dcc811b20a
Source of Spectrum J-54-252-7
Synonyms 4',5'-diphenyl-3,4,5,6,7,8-hexahydro-2H-spiro[azulene-1,2'-[1,3]dioxolane]
Wiley ID 1339748