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1,3,6-Cycloheptatriene-1-carboxaldehyde
SpectraBase Compound ID 3B0kAmXq5G8
InChI InChI=1S/C8H8O/c9-7-8-5-3-1-2-4-6-8/h1,3-7H,2H2
InChIKey QYSQEMPWAPIDEX-UHFFFAOYSA-N
Mol Weight 120.15 g/mol
Molecular Formula C8H8O
Exact Mass 120.057515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InHZMlYTY2X
Name 1,3,6-Cycloheptatriene-1-carboxaldehyde
CAS Registry Number 95826-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O
InChI InChI=1S/C8H8O/c9-7-8-5-3-1-2-4-6-8/h1,3-7H,2H2
InChIKey QYSQEMPWAPIDEX-UHFFFAOYSA-N
Molecular Weight 120.151 g/mol
SMILES C1(=CC=CCC=C1)C=O
SPLASH splash10-0006-9300000000-6712418b8ba4bb1df94c
Source of Spectrum K-118-193-39
Synonyms 1,3,6-Cycloheptatrien-1-carbaldehyde 1,3,6-cycloheptatriene-1-carbaldehyde 1-cyclohepta-1,3,6-trienecarboxaldehyde
Wiley ID 1127254