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2-Chloroethyl (5-[(2,4-dinitrophenyl)sulfanyl]-3-cyclohexen-1-yl)acetate
SpectraBase Compound ID 5ioitbo3URg
InChI InChI=1S/C16H17ClN2O6S/c17-6-7-25-16(20)9-11-2-1-3-13(8-11)26-15-5-4-12(18(21)22)10-14(15)19(23)24/h1,3-5,10-11,13H,2,6-9H2
InChIKey DSEJDHUMLXOCAV-UHFFFAOYSA-N
Mol Weight 400.83 g/mol
Molecular Formula C16H17ClN2O6S
Exact Mass 400.049585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMIaGOUN2CJ
Name 2-Chloroethyl (5-[(2,4-dinitrophenyl)sulfanyl]-3-cyclohexen-1-yl)acetate
Alternate Name(s) 2-Chloroethyl 2-[5-(2,4-dinitrophenyl)sulfanylcyclohex-3-en-1-yl]acetate 2-Chloroethyl 2-[5-(2,4-dinitrophenyl)sulfanylcyclohex-3-en-1-yl]ethanoate 2-[5-[(2,4-dinitrophenyl)thio]-1-cyclohex-3-enyl]acetic acid 2-chloroethyl ester 2-[5-[(2,4-dinitrophenyl)thio]cyclohex-3-en-1-yl]acetic acid 2-chloroethyl ester 3-Cyclohexene-1-acetic acid, trans-5-[(2,4-dinitrophenyl)thio]-, 2-chloroethyl ester
CAS Registry Number 109637-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClN2O6S
InChI InChI=1S/C16H17ClN2O6S/c17-6-7-25-16(20)9-11-2-1-3-13(8-11)26-15-5-4-12(18(21)22)10-14(15)19(23)24/h1,3-5,10-11,13H,2,6-9H2
InChIKey DSEJDHUMLXOCAV-UHFFFAOYSA-N
Molecular Weight 400.833 g/mol
SMILES c1cc(c(cc1N(=O)=O)N(=O)=O)SC1CC(CC=C1)CC(=O)OCCCl
SPLASH splash10-004i-9210000000-e7862c191a28bb1f5743
Source of Spectrum K-120-1728-11
Wiley ID 1369215