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trans-3-Octen-2-one

View entire compound with spectra: 7 NMR, 2 FTIR, and 10 MS (GC)

trans-3-Octen-2-one
SpectraBase Compound ID CTXa7WLVbgq
InChI InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey ZCFOBLITZWHNNC-VOTSOKGWSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AYxk8juOsGl
Name trans-3-Octen-2-one
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W341606
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey ZCFOBLITZWHNNC-VOTSOKGWSA-N
Molecular Weight 126.199 g/mol
Observed nucleus 1H
Purity >=98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_015192