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6(2',3'-dideutero-4'-methoxycyclohexenyl)piperonyl alcohol

View entire compound with spectra: 1 MS (GC)

6(2',3'-dideutero-4'-methoxycyclohexenyl)piperonyl alcohol
SpectraBase Compound ID 7wSycwB1nIZ
InChI InChI=1S/C15H18O4/c1-17-12-4-2-10(3-5-12)13-7-15-14(18-9-19-15)6-11(13)8-16/h2,6-7,12,16H,3-5,8-9H2,1H3/i2D,4D
InChIKey XMJSMVFVUFLXAV-XRIVEGAOSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H162D2O4
Exact Mass 264.133063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cjGqeoOEv0
Name 6(2',3'-dideutero-4'-methoxycyclohexenyl)piperonyl alcohol
CAS Registry Number 16831-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16D2O4
InChI InChI=1S/C15H18O4/c1-17-12-4-2-10(3-5-12)13-7-15-14(18-9-19-15)6-11(13)8-16/h2,6-7,12,16H,3-5,8-9H2,1H3/i2D,4D
InChIKey XMJSMVFVUFLXAV-XRIVEGAOSA-N
Molecular Weight 264.317 g/mol
SMILES OCc1c(C2=C(C([2D])C(CC2)OC)[2D])cc2OCOc2c1
SPLASH splash10-000l-1930000000-59c0b119f78fb4045e4e
Source of Spectrum T-68-3392-0
Wiley ID 37562