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[4-13C]-(E)-4-(benzyloxy)but-2-enal
SpectraBase Compound ID 60DxSk1v2TX
InChI InChI=1S/C11H12O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-8H,9-10H2/b5-4+/i9+1
InChIKey NBGHOPTZIQWHKY-SIISWPJOSA-N
Mol Weight 177.21 g/mol
Molecular Formula C1013CH12O2
Exact Mass 177.087084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ugiWX14vmX
Name [4-13C]-(E)-4-(benzyloxy)but-2-enal
Comments Original formula: C10[13C]H12O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-8H,9-10H2/b5-4+/i9+1
InChIKey NBGHOPTZIQWHKY-SIISWPJOSA-N
Literature Reference DOI 10.1039/c4cc00177j
Molecular Weight 177.207 g/mol
SMILES [13CH2](\C=C\C=O)OCc1ccccc1
SPLASH splash10-0006-9100000000-9cf44ce0545fcf74b1d9
Source of Spectrum KD-50-4228/SMS18-14a
Wiley ID 1754450