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Hydrocoumarin
SpectraBase Compound ID DH5Cz3XNvG9
InChI InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKey VMUXSMXIQBNMGZ-UHFFFAOYSA-N
Mol Weight 148.16 g/mol
Molecular Formula C9H8O2
Exact Mass 148.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfmEzMyXRcT
Name Coumarin <3,4-dihydro->
Source of Sample SAFC Cat.no. W238104
CAS Registry Number 119-84-6
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 148.052429496 u
Formula C9H8O2
InChI InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKey VMUXSMXIQBNMGZ-UHFFFAOYSA-N
Molecular Weight 148.161 g/mol
Number of Peaks 50
RI1 1386
RI2 1065
RI3 1866
RI4 1630
SMILES C1(Oc2ccccc2CC1)=O
SPLASH splash10-0097-9600000000-020dc5e5715a37d7daf2
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2H-1-Benzopyran-2-one, 3,4-dihydro-
Wiley ID LM_FFNSC3_247