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(3aS,4R,8R,8aR)-2,2-dimethyl-4,8-bis(phenylmethoxy)-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxole

View entire compound with spectra: 1 MS (GC)

(3aS,4R,8R,8aR)-2,2-dimethyl-4,8-bis(phenylmethoxy)-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxole
SpectraBase Compound ID 8YRZAusp9BP
InChI InChI=1S/C24H28O4/c1-24(2)27-22-20(25-16-18-10-5-3-6-11-18)14-9-15-21(23(22)28-24)26-17-19-12-7-4-8-13-19/h3-14,20-23H,15-17H2,1-2H3/t20-,21-,22+,23-/m1/s1
InChIKey KXBMDNDWQLKNNV-BXXSPATCSA-N
Mol Weight 380.48 g/mol
Molecular Formula C24H28O4
Exact Mass 380.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJtkhhfH3As
Name (3aS,4R,8R,8aR)-2,2-dimethyl-4,8-bis(phenylmethoxy)-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxole
Alternate Name(s) (3aS,4R,8R,8aR)-4,8-dibenzoxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxole (3aS,4R,8R,8aR)-4,8-dibenzyloxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O4
InChI InChI=1S/C24H28O4/c1-24(2)27-22-20(25-16-18-10-5-3-6-11-18)14-9-15-21(23(22)28-24)26-17-19-12-7-4-8-13-19/h3-14,20-23H,15-17H2,1-2H3/t20-,21-,22+,23-/m1/s1
InChIKey KXBMDNDWQLKNNV-BXXSPATCSA-N
Molecular Weight 380.484 g/mol
SMILES [C@]12([C@](OC(O2)(C)C)([C@](OCc2ccccc2)(CC=C[C@]1(OCc1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0006-9000000000-286b9a64f9b278566ecb
Source of Spectrum J-65-5418-12
Wiley ID 1533047