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10-Oxo-1-phenylsulfonyl-1,12-(methanoxycarbonyl)cyclotridec-11-ene-1-carboxylic methyl ester
SpectraBase Compound ID 7CdYplfd5nf
InChI InChI=1S/C21H26O5S/c22-18-10-6-3-1-2-4-9-13-21(15-17(14-18)16-26-20(21)23)27(24,25)19-11-7-5-8-12-19/h5,7-8,11-12,14H,1-4,6,9-10,13,15-16H2/b17-14-/t21-/m0/s1
InChIKey PCTDVQZAMIFIRL-JIHAQRTOSA-N
Mol Weight 390.49 g/mol
Molecular Formula C21H26O5S
Exact Mass 390.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6LjM8EL84m
Name 10-Oxo-1-phenylsulfonyl-1,12-(methanoxycarbonyl)cyclotridec-11-ene-1-carboxylic methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5S
InChI InChI=1S/C21H26O5S/c22-18-10-6-3-1-2-4-9-13-21(15-17(14-18)16-26-20(21)23)27(24,25)19-11-7-5-8-12-19/h5,7-8,11-12,14H,1-4,6,9-10,13,15-16H2/b17-14-/t21-/m0/s1
InChIKey PCTDVQZAMIFIRL-JIHAQRTOSA-N
Molecular Weight 390.494 g/mol
SMILES [C@]12(S(=O)(=O)c3ccccc3)C(OC\C(C1)=C/C(=O)CCCCCCCC2)=O
SPLASH splash10-0005-9340000000-51b5c43793bb77cc658a
Source of Spectrum C-120-2823-11
Synonyms 2-Oxa-3,13-dioxo-4-(phenylsulfonyl)-bicyclo[10.3.1(4,15)]hexadec-14-ene (Z)-(S)-12-Benzenesulfonyl-14-oxa-bicyclo[10.3.1]hexadec-1-ene-3,13-dione 10-Oxo-1-phenylsulfonyl-1,12-(methanoxycarbonyl)cyclotridec-11-ene-1-carboxylic acid methyl ester
Wiley ID 1699670