2-(3-Chloro-1-adamantyl)acetic acid

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Systematic / IUPAC Name: (3-Chloroadamantan-1-yl)acetic acid

ID: Reference3924

Other Names: Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-chloro-

Formula: C12H17ClO2

Spectral Data

2-(3-Chloro-1-adamantyl)acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 57
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/18/2016 12:05:42 PM
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Identificators

InChI InChI=1S/C12H17ClO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15)
InChI Key JLHRDMZSPPRYGL-UHFFFAOYSA-N
Canonical SMILES C1C2CC3(CC1CC(C2)(C3)Cl)CC(=O)O
CAS
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Other Names Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-chloro-

In Other Databases

ChemSpider 2081502
PubChem 2802826