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tert-Butyl {1-[chloro(p-tolylsulfinyl)methyl]cyclopentadecyl}acetate
SpectraBase Compound ID EGW7YhQkWl
InChI InChI=1S/C29H47ClO3S/c1-24-17-19-25(20-18-24)34(32)27(30)29(23-26(31)33-28(2,3)4)21-15-13-11-9-7-5-6-8-10-12-14-16-22-29/h17-20,27H,5-16,21-23H2,1-4H3
InChIKey GJEFWFFOZJTVPM-UHFFFAOYSA-N
Mol Weight 511.2 g/mol
Molecular Formula C29H47ClO3S
Exact Mass 510.293444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFxtqpzSnYI
Name tert-Butyl {1-[chloro(p-tolylsulfinyl)methyl]cyclopentadecyl}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47ClO3S
InChI InChI=1S/C29H47ClO3S/c1-24-17-19-25(20-18-24)34(32)27(30)29(23-26(31)33-28(2,3)4)21-15-13-11-9-7-5-6-8-10-12-14-16-22-29/h17-20,27H,5-16,21-23H2,1-4H3
InChIKey GJEFWFFOZJTVPM-UHFFFAOYSA-N
Molecular Weight 511.205 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C1(CC(OC(C)(C)C)=O)CCCCCCCCCCCCCC1)Cl
SPLASH splash10-052f-4970000000-7a0a957bbf696233eacc
Source of Spectrum F-59-4332-7c
Wiley ID 1712236