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6-(2',3'-Dideutero-4'-methoxycyclohexenyl)piperonal
SpectraBase Compound ID CfDRuwHqmws
InChI InChI=1S/C15H16O4/c1-17-12-4-2-10(3-5-12)13-7-15-14(18-9-19-15)6-11(13)8-16/h2,6-8,12H,3-5,9H2,1H3/i2D,4D
InChIKey XRDOQJTYXGLNSF-XRIVEGAOSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H142D2O4
Exact Mass 262.117412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Jz7P0Ofk9G
Name 6-(2',3'-Dideutero-4'-methoxycyclohexenyl)piperonal
CAS Registry Number 55030-43-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14D2O4
InChI InChI=1S/C15H16O4/c1-17-12-4-2-10(3-5-12)13-7-15-14(18-9-19-15)6-11(13)8-16/h2,6-8,12H,3-5,9H2,1H3/i2D,4D
InChIKey XRDOQJTYXGLNSF-XRIVEGAOSA-N
Molecular Weight 262.301 g/mol
SMILES c1(C2=C(C([2D])C(CC2)OC)[2D])cc2OCOc2cc1C=O
SPLASH splash10-0udi-3790000000-6b0ec468b34119c4caed
Source of Spectrum T-68-3367-0
Wiley ID 37185