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Bicyclo[3.1.0]hexane-6-carboxylic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester, (1.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID Jp3HHnqm0C3
InChI InChI=1S/C22H32O2/c1-13-11-16(21(2,3)4)19(17(12-13)22(5,6)7)24-20(23)18-14-9-8-10-15(14)18/h11-12,14-15,18H,8-10H2,1-7H3
InChIKey NPLMRVREBBRSKP-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5PvpeBd6ge
Name Bicyclo[3.1.0]hexane-6-carboxylic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester, (1.alpha.,5.alpha.,6.beta.)-
CAS Registry Number 125641-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-13-11-16(21(2,3)4)19(17(12-13)22(5,6)7)24-20(23)18-14-9-8-10-15(14)18/h11-12,14-15,18H,8-10H2,1-7H3
InChIKey NPLMRVREBBRSKP-UHFFFAOYSA-N
Molecular Weight 328.496 g/mol
SMILES C1(C2CCCC12)C(Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)C)=O
SPLASH splash10-06di-9170000000-2db95e23c444435ec363
Source of Spectrum C-112-1911-4
Synonyms 2,6-Ditert-butyl-4-methylphenyl anti-6-bicyclo[3.1.0]hexanecarboxylate 2,6-Ditert-butyl-4-methylphenyl bicyclo[3.1.0]hexane-6-carboxylate
Wiley ID 1326808