For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(3-(Benzo[d][1,3]dioxol-5-yl)-5-{2-[bis(2-chloroethyl)amino]-4-chlorothiazol-5-yl}-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one

View entire compound with spectra: 1 MS (GC)

1-(3-(Benzo[d][1,3]dioxol-5-yl)-5-{2-[bis(2-chloroethyl)amino]-4-chlorothiazol-5-yl}-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
SpectraBase Compound ID GuCMqdtZELh
InChI InChI=1S/C19H19Cl3N4O3S/c1-11(27)26-14(17-18(22)23-19(30-17)25(6-4-20)7-5-21)9-13(24-26)12-2-3-15-16(8-12)29-10-28-15/h2-3,8,14H,4-7,9-10H2,1H3
InChIKey QQGOWSXQMQACBR-UHFFFAOYSA-N
Mol Weight 489.81 g/mol
Molecular Formula C19H19Cl3N4O3S
Exact Mass 488.024345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2xtZTn2Nxa3
Name 1-(3-(Benzo[d][1,3]dioxol-5-yl)-5-{2-[bis(2-chloroethyl)amino]-4-chlorothiazol-5-yl}-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19Cl3N4O3S
InChI InChI=1S/C19H19Cl3N4O3S/c1-11(27)26-14(17-18(22)23-19(30-17)25(6-4-20)7-5-21)9-13(24-26)12-2-3-15-16(8-12)29-10-28-15/h2-3,8,14H,4-7,9-10H2,1H3
InChIKey QQGOWSXQMQACBR-UHFFFAOYSA-N
Instrument Name Shimadzu-GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900351
Molecular Weight 489.805 g/mol
SMILES C(C)(=O)N1N=C(CC1c1c(nc(s1)N(CCCl)CCCl)Cl)c1ccc2c(OCO2)c1
SPLASH splash10-0a4l-9001300000-a8df1ade4f684e9f6d4b
Source of Spectrum APC-353-15-6d
Wiley ID 1839656