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Bicyclo[4.2.0]oct-2-en-7-one-8-d, 8-(2-thienyl-5-d)-
SpectraBase Compound ID DUPUV00F42w
InChI InChI=1S/C12H12OS/c13-12-9-5-2-1-4-8(9)11(12)10-6-3-7-14-10/h1,3-4,6-9,11H,2,5H2/i7D,11D
InChIKey QGKGKGAZHWQRCC-CJVWNTGVSA-N
Mol Weight 206.3 g/mol
Molecular Formula C12H102D2OS
Exact Mass 206.07344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSE8GRCOUtL
Name Bicyclo[4.2.0]oct-2-en-7-one-8-d, 8-(2-thienyl-5-d)-
Alternate Name(s) 8,5'-Dideuterio-8-(2-thienyl)-bicyclo[4.2.0]oct-2-ene-7-one
CAS Registry Number 112251-77-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10D2OS
InChI InChI=1S/C12H12OS/c13-12-9-5-2-1-4-8(9)11(12)10-6-3-7-14-10/h1,3-4,6-9,11H,2,5H2/i7D,11D
InChIKey QGKGKGAZHWQRCC-CJVWNTGVSA-N
Molecular Weight 206.299 g/mol
SMILES C1(C(c2sc([2D])cc2)([2D])C2C1CCC=C2)=O
SPLASH splash10-0a4i-0090000000-5a38863be54f48de8473
Source of Spectrum I-65-1665-1
Wiley ID 1201788