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Butyl 2-methyl-4-phenylthiopent-3-enoate
SpectraBase Compound ID 8WIzSVbZz5
InChI InChI=1S/C16H22O2S/c1-4-5-11-18-16(17)13(2)12-14(3)19-15-9-7-6-8-10-15/h6-10,12-13H,4-5,11H2,1-3H3/b14-12+
InChIKey LDGPBVIBYZRMLA-WYMLVPIESA-N
Mol Weight 278.41 g/mol
Molecular Formula C16H22O2S
Exact Mass 278.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vAyDOVTxjh
Name Butyl 2-methyl-4-phenylthiopent-3-enoate
CAS Registry Number 88088-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2S
InChI InChI=1S/C16H22O2S/c1-4-5-11-18-16(17)13(2)12-14(3)19-15-9-7-6-8-10-15/h6-10,12-13H,4-5,11H2,1-3H3/b14-12+
InChIKey LDGPBVIBYZRMLA-WYMLVPIESA-N
Molecular Weight 278.410 g/mol
SMILES c1(S\C(=C\C(C(=O)OCCCC)C)C)ccccc1
SPLASH splash10-004i-0910000000-f0a080394499596f388f
Source of Spectrum KC-1986-1956-38
Synonyms Butyl (3E)-2-methyl-4-(phenylsulfanyl)-3-pentenoate
Wiley ID 1281995