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Isothujone

View entire compound with spectra: 2 NMR, and 1 FTIR

Isothujone
SpectraBase Compound ID 4VybJgnx08T
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-/m0/s1
InChIKey USMNOWBWPHYOEA-XKSSXDPKSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JjlNSfIUmyj
Name alpha,beta-Thujone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 283118
CAS Registry Number 1125-12-8
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O
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-/m0/s1
InChIKey USMNOWBWPHYOEA-XKSSXDPKSA-N
Molecular Weight 152.240 g/mol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (-)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
Wiley ID SIAL_VP-FTIR_003009