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(+-)-(2-.alpha.,3a-.alpha.,7a-.beta.)-and (2-.alpha.,3a-.beta.,7a-.alpha.)-Octahydro-7a-methyl-2-(4-oxa-5-oxocyclopentenyl)benzo[b]furan
SpectraBase Compound ID 4Rcj9bOuZ7y
InChI InChI=1S/C13H18O3/c1-13-6-3-2-4-9(13)8-11(16-13)10-5-7-15-12(10)14/h2-3,9-11H,4-8H2,1H3/t9-,10?,11+,13-/m1/s1
InChIKey IUTGQPQBYYVPSQ-JERFEKOUSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nhnUDoNAn5
Name (+-)-(2-.alpha.,3a-.alpha.,7a-.beta.)-and (2-.alpha.,3a-.beta.,7a-.alpha.)-Octahydro-7a-methyl-2-(4-oxa-5-oxocyclopentenyl)benzo[b]furan
CAS Registry Number 76215-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-13-6-3-2-4-9(13)8-11(16-13)10-5-7-15-12(10)14/h2-3,9-11H,4-8H2,1H3/t9-,10?,11+,13-/m1/s1
InChIKey IUTGQPQBYYVPSQ-JERFEKOUSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]1(O[C@@]2(CC=CC[C@@]2(C1)[H])C)(C1C(OCC1)=O)[H]
SPLASH splash10-0a4l-9150000000-6870ae605bd718628e52
Source of Spectrum J-46-1202-0
Synonyms (3S)-3-[(2S,3aR,7aR)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran-2-yl]dihydro-2(3H)-furanone
Wiley ID 1222551