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(S)-(+)-1-cyano-1-(3,4-methylenedioxyphenyl)methyl acetate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(S)-(+)-1-cyano-1-(3,4-methylenedioxyphenyl)methyl acetate
SpectraBase Compound ID 1wxqPOGf8GA
InChI InChI=1S/C11H9NO4/c1-7(13)16-11(5-12)8-2-3-9-10(4-8)15-6-14-9/h2-4,11H,6H2,1H3/t11-/m1/s1
InChIKey QLJQZNQAUINIDB-LLVKDONJSA-N
Mol Weight 219.2 g/mol
Molecular Formula C11H9NO4
Exact Mass 219.053158 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7SHcnnhwDPA
Name (S)-(+)-1-cyano-1-(3,4-methylenedioxyphenyl)methyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.053157770 u
Formula C11H9NO4
InChI InChI=1S/C11H9NO4/c1-7(13)16-11(5-12)8-2-3-9-10(4-8)15-6-14-9/h2-4,11H,6H2,1H3/t11-/m1/s1
InChIKey QLJQZNQAUINIDB-LLVKDONJSA-N
Molecular Weight 219.196 g/mol
SMILES C(#N)[C@](C=1C=C2OCOC2=CC1)(OC(=O)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92728