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bicyclo[5.1.0]octan-2-one (S,S)-hydrobenzoin ketal
SpectraBase Compound ID DMBjQA40piz
InChI InChI=1S/C22H24O2/c1-3-9-16(10-4-1)20-21(17-11-5-2-6-12-17)24-22(23-20)14-8-7-13-18-15-19(18)22/h1-6,9-12,18-21H,7-8,13-15H2/t18?,19?,20-,21-/m0/s1
InChIKey IYBDOCFQPFZDBK-JSRAGOMMSA-N
Mol Weight 320.43 g/mol
Molecular Formula C22H24O2
Exact Mass 320.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HC4XgO6B7yw
Name bicyclo[5.1.0]octan-2-one (S,S)-hydrobenzoin ketal
Alternate Name(s) (4'S,5'S)-4',5'-diphenylspiro[bicyclo[5.1.0]octane-2,2'-[1,3]dioxolane]
CAS Registry Number 117583-54-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O2
InChI InChI=1S/C22H24O2/c1-3-9-16(10-4-1)20-21(17-11-5-2-6-12-17)24-22(23-20)14-8-7-13-18-15-19(18)22/h1-6,9-12,18-21H,7-8,13-15H2/t18?,19?,20-,21-/m0/s1
InChIKey IYBDOCFQPFZDBK-JSRAGOMMSA-N
Molecular Weight 320.432 g/mol
SMILES C12(C3CC3CCCC1)O[C@@](c1ccccc1)([C@@](O2)(c1ccccc1)[H])[H]
SPLASH splash10-005c-9520000000-7e756cb088ffe73b0f02
Source of Spectrum J-54-252-6
Wiley ID 1320624