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bicyclo[4.1.0]heptan-2-one 1,8-diphenyl-4,5-octanediol ketal
SpectraBase Compound ID DFMO5ZcmC89
InChI InChI=1S/C27H34O2/c1-3-10-21(11-4-1)14-7-17-25-26(18-8-15-22-12-5-2-6-13-22)29-27(28-25)19-9-16-23-20-24(23)27/h1-6,10-13,23-26H,7-9,14-20H2
InChIKey ZXVDAQQCIRWNHO-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C27H34O2
Exact Mass 390.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2N4AoVTzNk
Name bicyclo[4.1.0]heptan-2-one 1,8-diphenyl-4,5-octanediol ketal
Alternate Name(s) 4',5'-bis(3-phenylpropyl)spiro[bicyclo[4.1.0]heptane-2,2'-[1,3]dioxolane]
CAS Registry Number 125355-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34O2
InChI InChI=1S/C27H34O2/c1-3-10-21(11-4-1)14-7-17-25-26(18-8-15-22-12-5-2-6-13-22)29-27(28-25)19-9-16-23-20-24(23)27/h1-6,10-13,23-26H,7-9,14-20H2
InChIKey ZXVDAQQCIRWNHO-UHFFFAOYSA-N
Molecular Weight 390.567 g/mol
SMILES C12(C3CC3CCC1)OC(CCCc1ccccc1)C(O2)CCCc1ccccc1
SPLASH splash10-0f6x-4901000000-4d730b6631def268dd8f
Source of Spectrum J-55-2051-19
Wiley ID 1365184