SpectraBase Compound ID | COfZvzX4sG |
---|---|
InChI | InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)/t8-,9+,10-,12- |
InChIKey | AOTQGWFNFTVXNQ-GOCCLTDMSA-N |
Mol Weight | 194.27 g/mol |
Molecular Formula | C12H18O2 |
Exact Mass | 194.13068 g/mol |
SpectraBase Spectrum ID | 5paVku10qep |
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Name | 1-Adamantaneacetic acid |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 127272 |
CAS Registry Number | 4942-47-6 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C12H18O2 |
InChI | InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)/t8-,9+,10-,12- |
InChIKey | AOTQGWFNFTVXNQ-GOCCLTDMSA-N |
Observed nucleus | 13C |
Purity | 98% |
Solvent | DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Synonyms | 1-Adamantylacetic acid |
Wiley ID | SIAL_13CNMR_000759 |