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(4as,5as,9ar)-4A-Methyloctahydrobenzo[1,4]cyclobuta[1,2-B]pyran-6(7H)-one
SpectraBase Compound ID 7UDkiTSik6B
InChI InChI=1S/C12H18O2/c1-11-5-3-7-14-12(11)6-2-4-10(13)9(12)8-11/h9H,2-8H2,1H3/t9-,11+,12-/m1/s1
InChIKey QKFDHZDRILDNOE-ADEWGFFLSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KOFXeqou2n
Name (4aS,5aS,9aR)-4a-Methyloctahydrobenzo[1,4]cyclobuta[1,2-b]pyran-6(7H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-11-5-3-7-14-12(11)6-2-4-10(13)9(12)8-11/h9H,2-8H2,1H3/t9-,11+,12-/m1/s1
InChIKey QKFDHZDRILDNOE-ADEWGFFLSA-N
Literature Reference DOI 10.1002/anie.201407832
Molecular Weight 194.274 g/mol
SMILES C1C([C@]2([H])[C@@]3([C@](C2)(CCCO3)C)CC1)=O
SPLASH splash10-052o-9100000000-ef85b1e09ee0eb89713b
Source of Spectrum ACI-53-SMS22-2e
Wiley ID 1782867