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Benzenecarbothioic acid, 3-nitro-, S-[[1-(phenylseleno)cyclopentyl]methyl]ester
SpectraBase Compound ID 7jebtJEwLiC
InChI InChI=1S/C19H19NO3SSe/c21-18(15-7-6-8-16(13-15)20(22)23)24-14-19(11-4-5-12-19)25-17-9-2-1-3-10-17/h1-3,6-10,13H,4-5,11-12,14H2
InChIKey DEFHLHRCYDHJPG-UHFFFAOYSA-N
Mol Weight 420.4 g/mol
Molecular Formula C19H19NO3SSe
Exact Mass 421.025087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID At9t7UtAuFp
Name Benzenecarbothioic acid, 3-nitro-, S-[[1-(phenylseleno)cyclopentyl]methyl]ester
Alternate Name(s) S-[1-(phenylseleno)cyclopentyl]methyl 3-nitro(thiobenzoate) S-{[1-(phenylselanyl)cyclopentyl]methyl} 3-nitrobenzenecarbothioate
CAS Registry Number 117157-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO3SSe
InChI InChI=1S/C19H19NO3SSe/c21-18(15-7-6-8-16(13-15)20(22)23)24-14-19(11-4-5-12-19)25-17-9-2-1-3-10-17/h1-3,6-10,13H,4-5,11-12,14H2
InChIKey DEFHLHRCYDHJPG-UHFFFAOYSA-N
Molecular Weight 420.397 g/mol
SMILES c1(N(=O)=O)cc(C(SCC2([Se]c3ccccc3)CCCC2)=O)ccc1
SPLASH splash10-0a4i-0900000000-833f19da5c149b294629
Source of Spectrum KC-1988-579-2
Wiley ID 1378258