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alpha-Chloro-5,7-dimethyl-1,3-adamantanediacetic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

alpha-Chloro-5,7-dimethyl-1,3-adamantanediacetic acid
SpectraBase Compound ID 7uZB0eyptn1
InChI InChI=1S/C16H23ClO4/c1-13-4-14(2)6-15(5-13,3-10(18)19)9-16(7-13,8-14)11(17)12(20)21/h11H,3-9H2,1-2H3,(H,18,19)(H,20,21)/t11?,13-,14+,15-,16-
InChIKey JKZPRSYNGKECDY-GCOBXMRASA-N
Mol Weight 314.81 g/mol
Molecular Formula C16H23ClO4
Exact Mass 314.128487 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7gHVqDwcl8
Name alpha-CHLORO-5,7-DIMETHYL-1,3-ADAMANTANEDIACETIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S59700
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23ClO4
InChI InChI=1S/C16H23ClO4/c1-13-4-14(2)6-15(5-13,3-10(18)19)9-16(7-13,8-14)11(17)12(20)21/h11H,3-9H2,1-2H3,(H,18,19)(H,20,21)/t11?,13-,14+,15-,16-
InChIKey JKZPRSYNGKECDY-GCOBXMRASA-N
Molecular Weight 314.806000
Synonyms 1,3-ADAMANTANEDIACETIC ACID, A-CHLORO- 5,7-DIMETHYL-,
Technique KBr WAFER