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Benzaldehyde
SpectraBase Compound ID 89A3zoSIfdU
InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey HUMNYLRZRPPJDN-UHFFFAOYSA-N
Mol Weight 106.12 g/mol
Molecular Formula C7H6O
Exact Mass 106.041865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLCgRv1kugu
Name Benzaldehyde
CAS Registry Number 100-52-7
Classification Flavor
Comments Original RI info: <1000*
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Exact Mass 106.041864812 u
Formula C7H6O
InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey HUMNYLRZRPPJDN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 106.124 g/mol
SMILES c1ccc(C=O)cc1
SPLASH splash10-0a6r-9500000000-94a302a7c54dff170303
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4215