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8a.beta.-Ethenyl-4a.beta.-octahydro-3H-2-benzopyran-3-one
SpectraBase Compound ID 67bBl3d5Hhr
InChI InChI=1S/C11H16O2/c1-2-11-6-4-3-5-9(11)7-10(12)8-13-11/h2,9H,1,3-8H2/t9-,11-/m0/s1
InChIKey IQSDNALDTYCHTL-ONGXEEELSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID De0U98IziTv
Name 8a.beta.-Ethenyl-4a.beta.-octahydro-3H-2-benzopyran-3-one
CAS Registry Number 42391-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-2-11-6-4-3-5-9(11)7-10(12)8-13-11/h2,9H,1,3-8H2/t9-,11-/m0/s1
InChIKey IQSDNALDTYCHTL-ONGXEEELSA-N
Molecular Weight 180.247 g/mol
SMILES [C@@]12(OCC(C[C@@]2(CCCC1)[H])=O)C=C
SPLASH splash10-0a6r-9800000000-724525e69e76984afde1
Source of Spectrum J-41-1400-0
Synonyms (4aS,8aR)-8a-vinylhexahydro-2H-chromen-3(4H)-one
Wiley ID 1176481