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4-Butyl-1-(p-tolylsulfanyl)-2-oxaspiro[4.14]nonadecan-3-one
SpectraBase Compound ID 5xc5R1TsfYl
InChI InChI=1S/C29H46O2S/c1-3-4-17-26-27(30)31-28(32-25-20-18-24(2)19-21-25)29(26)22-15-13-11-9-7-5-6-8-10-12-14-16-23-29/h18-21,26,28H,3-17,22-23H2,1-2H3
InChIKey QMWQRASQXPJKFJ-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C29H46O2S
Exact Mass 458.321852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCNLreSNr8E
Name 4-Butyl-1-(p-tolylsulfanyl)-2-oxaspiro[4.14]nonadecan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H46O2S
InChI InChI=1S/C29H46O2S/c1-3-4-17-26-27(30)31-28(32-25-20-18-24(2)19-21-25)29(26)22-15-13-11-9-7-5-6-8-10-12-14-16-23-29/h18-21,26,28H,3-17,22-23H2,1-2H3
InChIKey QMWQRASQXPJKFJ-UHFFFAOYSA-N
Molecular Weight 458.745 g/mol
SMILES C1(OC(=O)C(C11CCCCCCCCCCCCCC1)CCCC)Sc1ccc(cc1)C
SPLASH splash10-00kr-5239000000-013cdd0f6e7864889892
Source of Spectrum F-59-4335-26
Wiley ID 1678256