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Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-1-tricyclo[3.3.1.1(3,7)]dec-1-yl-, methyl ester, cis-
SpectraBase Compound ID 50lTuZOxUjY
InChI InChI=1S/C22H36O2/c1-20(2,3)18-5-7-22(8-6-18,19(23)24-4)21-12-15-9-16(13-21)11-17(10-15)14-21/h15-18H,5-14H2,1-4H3/t15-,16+,17-,18-,21-,22-
InChIKey CZZYFIMBBVZIEB-YIIAGNHPSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zylTW4G45r
Name Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-1-tricyclo[3.3.1.1(3,7)]dec-1-yl-, methyl ester, cis-
CAS Registry Number 88246-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-20(2,3)18-5-7-22(8-6-18,19(23)24-4)21-12-15-9-16(13-21)11-17(10-15)14-21/h15-18H,5-14H2,1-4H3/t15-,16+,17-,18-,21-,22-
InChIKey CZZYFIMBBVZIEB-YIIAGNHPSA-N
Molecular Weight 332.528 g/mol
SMILES C12([C@]3(C(=O)OC)CC[C@@](C(C)(C)C)(CC3)[H])C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]
SPLASH splash10-000i-3900000000-ad23dd3d871b0f6c3c7b
Source of Spectrum K-116-3720-0
Synonyms Methyl 1-(1-adamantyl)-4-tert-butylcyclohexanecarboxylate Methylester of trans-1-adamantyl-4-(1,1-dimethylethyl)-1-cyclohexylcarboxylic acid
Wiley ID 1329934