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4-Ethylthio-5-methyl-9-(3-oxobutyl)-2-oxatricyclo(4.4.0.0(4,9))decan-3-one
SpectraBase Compound ID 2DCC9XhaaqD
InChI InChI=1S/C16H24O3S/c1-4-20-16-13(18)19-12-10-15(16,9-6-11(2)17)8-5-7-14(12,16)3/h12H,4-10H2,1-3H3/t12-,14+,15+,16+/m0/s1
InChIKey QZBZPQKRMKDJFR-LCGIIJARSA-N
Mol Weight 296.43 g/mol
Molecular Formula C16H24O3S
Exact Mass 296.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtdZAWspDJq
Name 4-Ethylthio-5-methyl-9-(3-oxobutyl)-2-oxatricyclo(4.4.0.0(4,9))decan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3S
InChI InChI=1S/C16H24O3S/c1-4-20-16-13(18)19-12-10-15(16,9-6-11(2)17)8-5-7-14(12,16)3/h12H,4-10H2,1-3H3/t12-,14+,15+,16+/m0/s1
InChIKey QZBZPQKRMKDJFR-LCGIIJARSA-N
Ionization Type EI-B
Molecular Weight 296.425 g/mol
SMILES CC(=O)CC[C@]12CCC[C@]3([C@]2(SCC)C(=O)O[C@]3(C1)[H])C
SPLASH splash10-0007-3920000000-583c708a101ba805948c
Source of Spectrum SRH-2022-4378-0
Wiley ID 1826537