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Safrole

View entire compound with spectra: 16 NMR, 9 FTIR, 1 Raman, 1 UV-Vis, 40 MS (GC), and 2 Near IR

Safrole
SpectraBase Compound ID IjTJynk25zp
InChI InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChIKey ZMQAAUBTXCXRIC-UHFFFAOYSA-N
Mol Weight 162.19 g/mol
Molecular Formula C10H10O2
Exact Mass 162.06808 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4m1PuQye6WC
Name Safrole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number S208
CAS Registry Number 94-59-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O2
InChI InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChIKey ZMQAAUBTXCXRIC-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Allyl-1,2-methylenedioxybenzene; 5-Allyl-1,3-benzodioxole
Wiley ID SIAL_13CNMR_012733