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3-Buten-2-one, 4-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-, [S-(E)]-
SpectraBase Compound ID K4llahCs2X1
InChI InChI=1S/C11H18O3/c1-8(12)6-7-9-10(2,3)14-11(4,5)13-9/h6-7,9H,1-5H3/b7-6+/t9-/m0/s1
InChIKey FWTRXNXQPABGHE-UCUJLANTSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fHptVzkn6o
Name 3-Buten-2-one, 4-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)-, [S-(E)]-
CAS Registry Number 92466-37-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8(12)6-7-9-10(2,3)14-11(4,5)13-9/h6-7,9H,1-5H3/b7-6+/t9-/m0/s1
InChIKey FWTRXNXQPABGHE-UCUJLANTSA-N
Molecular Weight 198.262 g/mol
SMILES C1(OC(C)(C)[C@@](O1)(\C=C\C(=O)C)[H])(C)C
SPLASH splash10-001l-9200000000-f2568c7bde22c56b05e1
Source of Spectrum H-67-1287-0
Synonyms (3E)-4-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]-3-buten-2-one (4'S,3E)-4-[2',2',5',5'-tetramethyl-1',3'-dioxolan-4'-yl]-3-buten-2-one
Wiley ID 1195472