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Ethyl 2-methyl-4-[2',2',3'-trimethylcyclopent-3'-en-1'-yl]-(5,5-dideuterio)pent-4-enoate
SpectraBase Compound ID ANRAyQbU94n
InChI InChI=1S/C16H26O2/c1-7-18-15(17)12(3)10-11(2)14-9-8-13(4)16(14,5)6/h8,12,14H,2,7,9-10H2,1,3-6H3/t12?,14-/m1/s1/i2D2
InChIKey ITBSNEQYWUKOMW-CPQFVSOLSA-N
Mol Weight 252.39 g/mol
Molecular Formula C16H242D2O2
Exact Mass 252.205834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4L9juSiAKWP
Name Ethyl 2-methyl-4-[2',2',3'-trimethylcyclopent-3'-en-1'-yl]-(5,5-dideuterio)pent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24D2O2
InChI InChI=1S/C16H26O2/c1-7-18-15(17)12(3)10-11(2)14-9-8-13(4)16(14,5)6/h8,12,14H,2,7,9-10H2,1,3-6H3/t12?,14-/m1/s1/i2D2
InChIKey ITBSNEQYWUKOMW-CPQFVSOLSA-N
Molecular Weight 252.394 g/mol
SMILES C1([C@@](C(CC(C(=O)OCC)C)=C([2D])[2D])(CC=C1C)[H])(C)C
SPLASH splash10-0k9i-1920000000-3ccc08c992e47fba69ae
Source of Spectrum H-92-1793-18b-A
Wiley ID 1693713