SpectraBase Spectrum ID |
BpBnlSzuMa |
Name |
1-Adamantaneacetic acid |
CAS Registry Number |
4942-47-6 |
Copyright |
Copyright © 2020-2024 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 |
Molecular Weight |
194.274 g/mol |
SMILES |
OC(=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
SPLASH |
splash10-000i-3900000000-44abda00035ec95ea71b |
Source of Spectrum |
NP-17-8572-0 |
Synonyms |
Tricyclo[3.3.1.13,7]decane-1-acetic acid
1-(Carboxymethyl)adamantane
1-Adamantylacetic acid
2-(1-adamantyl)acetic acid
2-(1-adamantyl)ethanoic acid
Tricyclo(3.3.1.13,7)dec-1-ylacetic acid
EINECS 225-585-1 |
Wiley ID |
1103180 |