For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(3aR,4aS,8aR)-3a-Methylhexahydro-2H-benzo[1,4]cyclobuta[1,2-b]furan-5(6H)-one
SpectraBase Compound ID JIG5LCkS8Aj
InChI InChI=1S/C11H16O2/c1-10-5-6-13-11(10)4-2-3-9(12)8(11)7-10/h8H,2-7H2,1H3/t8-,10+,11-/m1/s1
InChIKey NKOUPFQUWWNWGM-DVVUODLYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HhyMLQAGDFO
Name (3aR,4aS,8aR)-3a-Methylhexahydro-2H-benzo[1,4]cyclobuta[1,2-b]furan-5(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-10-5-6-13-11(10)4-2-3-9(12)8(11)7-10/h8H,2-7H2,1H3/t8-,10+,11-/m1/s1
InChIKey NKOUPFQUWWNWGM-DVVUODLYSA-N
Literature Reference DOI 10.1002/anie.201407832
Molecular Weight 180.247 g/mol
SMILES C1C([C@]2(C[C@]3([C@]2(CC1)OCC3)C)[H])=O
SPLASH splash10-08fr-5900000000-10882f56ac43160eaa84
Source of Spectrum ACI-53-SMS18-2b
Wiley ID 1782865