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α-Angelicalactone
SpectraBase Compound ID ARXklPNnHHM
InChI InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
InChIKey QOTQFLOTGBBMEX-UHFFFAOYSA-N
Mol Weight 98.1 g/mol
Molecular Formula C5H6O2
Exact Mass 98.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32WvgwYwWGZ
Name .alpha.-angelica lactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6O2
InChI InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
InChIKey QOTQFLOTGBBMEX-UHFFFAOYSA-N
Instrument Name Agilent 5975 C
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200628
Molecular Weight 98.101 g/mol
SMILES C=1(OC(CC1)=O)C
SPLASH splash10-0a4j-9000000000-ca1c5e900caa53c986ae
Source of Spectrum CCC-14-SM13-.alpha.-AL
Wiley ID 1876098