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(4aR,8aR)-1,4,4a,5,8,8a-hexahydro-2-benzopyran-3-one
SpectraBase Compound ID LfpHeU7fV34
InChI InChI=1S/C9H12O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-2,7-8H,3-6H2/t7-,8+/m1/s1
InChIKey QMMQQAYCMXPWAC-SFYZADRCSA-N
Mol Weight 152.19 g/mol
Molecular Formula C9H12O2
Exact Mass 152.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37JGfyc7Wq
Name (4aR,8aR)-1,4,4a,5,8,8a-hexahydro-2-benzopyran-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O2
InChI InChI=1S/C9H12O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-2,7-8H,3-6H2/t7-,8+/m1/s1
InChIKey QMMQQAYCMXPWAC-SFYZADRCSA-N
Molecular Weight 152.193 g/mol
SMILES C1(OC[C@]2([C@@](C1)(CC=CC2)[H])[H])=O
SPLASH splash10-01tc-9300000000-b34ee7f8c7ce1fe9eb2a
Source of Spectrum F-50-8845-9
Synonyms (4aR,8aR)-1,4,4a,5,8,8a-hexahydroisochromen-3-one
Wiley ID 1149162