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(R,E)-5-(1,3-dioxolan-2-yl)-4-methylpent-2-enal
SpectraBase Compound ID 8iFF1TuTXxv
InChI InChI=1S/C9H14O3/c1-8(3-2-4-10)7-9-11-5-6-12-9/h2-4,8-9H,5-7H2,1H3/b3-2+/t8-/m0/s1
InChIKey JCBRYEUPKZEUKC-SGJFDWMWSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpGPWiETCtv
Name (R,E)-5-(1,3-dioxolan-2-yl)-4-methylpent-2-enal
Appearance Pale yellow pungent oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 170.094294308 u
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-8(3-2-4-10)7-9-11-5-6-12-9/h2-4,8-9H,5-7H2,1H3/b3-2+/t8-/m0/s1
InChIKey JCBRYEUPKZEUKC-SGJFDWMWSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808937
Molecular Weight 170.208 g/mol
Optical Rotation [a]D20 = -59.5 (c = 0.79, CHCl3)
Quality 93
Reported Formula C9H14O3
SMILES C1(OCCO1)C[C@](\C=C\C=O)(C)[H]
SPLASH splash10-00di-9000000000-b91bcc03469f9e19f725
Source of Spectrum ACI-57-SM18-28 (DOI: 10.1002/anie.201808937)
Wiley ID 1893504