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alpha,beta-Thujone

View entire compound with spectra: 2 NMR, and 2 FTIR

alpha,beta-Thujone
SpectraBase Compound ID 7KQXfgZZIPA
InChI InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7?,8-,10+/m1/s1
InChIKey USMNOWBWPHYOEA-VWHDNNRLSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BrAQPjNeMX0
Name alpha,beta-Thujone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 283118
CAS Registry Number 76231-76-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O
InChI InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7?,8-,10+/m1/s1
InChIKey USMNOWBWPHYOEA-VWHDNNRLSA-N
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (-)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
Wiley ID SIAL_13CNMR_005286