For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Adamantane acetic acid
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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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