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5-chlorovanillin

View entire compound with spectra: 3 NMR, 2 FTIR, 2 UV-Vis, and 1 MS (GC)

5-chlorovanillin
SpectraBase Compound ID 15NeCXiiLAA
InChI InChI=1S/C8H7ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey ONIVKFDMLVBDRK-UHFFFAOYSA-N
Mol Weight 186.59 g/mol
Molecular Formula C8H7ClO3
Exact Mass 186.008372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQ1JYe1k5kI
Name 3-Chloro-4-hydroxy-5-methoxybenzaldehyde
Alternate Name(s) 3-Chloranyl-5-methoxy-4-oxidanyl-benzaldehyde 3-Chlorovanillin 5-Chlorovanillin Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy- Vanillin, 5-chloro- EINECS 243-086-7 NSC 45929
CAS Registry Number 19463-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClO3
InChI InChI=1S/C8H7ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey ONIVKFDMLVBDRK-UHFFFAOYSA-N
Molecular Weight 186.594 g/mol
SMILES Oc1c(cc(cc1OC)C=O)Cl
SPLASH splash10-000i-8900000000-f3e1db77df6ff0572a48
Source of Spectrum AD-0-2532-0
Wiley ID 1427073