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(2R,3S)-2-benzoxy-3-methyl-pent-4-enal

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(2R,3S)-2-benzoxy-3-methyl-pent-4-enal
SpectraBase Compound ID 4PwtJyzHT2v
InChI InChI=1S/C13H16O2/c1-3-11(2)13(9-14)15-10-12-7-5-4-6-8-12/h3-9,11,13H,1,10H2,2H3/t11-,13-/m0/s1
InChIKey DJYFOEFLYKYBIY-AAEUAGOBSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J9CMVKC2CvV
Name (2R,3S)-2-Benzoxy-3-methyl-pent-4-enal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-3-11(2)13(9-14)15-10-12-7-5-4-6-8-12/h3-9,11,13H,1,10H2,2H3/t11-,13-/m0/s1
InChIKey DJYFOEFLYKYBIY-AAEUAGOBSA-N
Molecular Weight 204.269 g/mol
SMILES [C@@](OCC1=CC=CC=C1)(C=O)([C@](C=C)(C)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933771