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1H-2-Benzopyran-5-carboxaldehyde, 3,4-dihydro-1-oxo-
SpectraBase Compound ID INnEFmI62ie
InChI InChI=1S/C10H8O3/c11-6-7-2-1-3-9-8(7)4-5-13-10(9)12/h1-3,6H,4-5H2
InChIKey TUADBWMDDLWUME-UHFFFAOYSA-N
Mol Weight 176.17 g/mol
Molecular Formula C10H8O3
Exact Mass 176.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbTA42QP1t0
Name 1H-2-Benzopyran-5-carboxaldehyde, 3,4-dihydro-1-oxo-
CAS Registry Number 50276-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8O3
InChI InChI=1S/C10H8O3/c11-6-7-2-1-3-9-8(7)4-5-13-10(9)12/h1-3,6H,4-5H2
InChIKey TUADBWMDDLWUME-UHFFFAOYSA-N
Molecular Weight 176.171 g/mol
SMILES c1cc(C=O)c2CCOC(c2c1)=O
SPLASH splash10-016u-5900000000-1d7c6006514d6fcd3378
Source of Spectrum EP-6451-0-0
Synonyms Erythrocentaurin 1-Oxo-3,4-dihydro-1H-isochromene-5-carbaldehyde 1-ketoisochroman-5-carbaldehyde 1-Oxidanylidene-3,4-dihydroisochromene-5-carbaldehyde 1-Oxo-3,4-dihydro-1H-2-benzopyran-5-carboxaldehyde 1-Oxo-3,4-dihydroisochromene-5-carbaldehyde 1-Oxoisochromane-5-carbaldehyde 5-Formyl-3,4-dihydroisocoumarin Erythrocentaurine
Wiley ID 1172243