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1,4-Dioxa-8-azaspiro[4.5]decane, 8-(chloroacetyl)-6-ethyl-9-[1-(phenylsulfonyl)-1H-indol-2-yl]-, trans-
SpectraBase Compound ID IcGBuxvzuzx
InChI InChI=1S/C25H27ClN2O5S/c1-2-19-17-27(24(29)16-26)23(15-25(19)32-12-13-33-25)22-14-18-8-6-7-11-21(18)28(22)34(30,31)20-9-4-3-5-10-20/h3-11,14,19,23H,2,12-13,15-17H2,1H3/t19-,23-/m1/s1
InChIKey CFOAOVOILUWUOX-AUSIDOKSSA-N
Mol Weight 503.01 g/mol
Molecular Formula C25H27ClN2O5S
Exact Mass 502.132921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12wicB29c8L
Name 1,4-Dioxa-8-azaspiro[4.5]decane, 8-(chloroacetyl)-6-ethyl-9-[1-(phenylsulfonyl)-1H-indol-2-yl]-, trans-
Alternate Name(s) (6R,9R)-8-(chloroacetyl)-6-ethyl-9-[1-(phenylsulfonyl)-1H-indol-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane trans-1-(chloroacetyl)-5-ethyl-2-[1-(phenylsulfonyl)-2-indolyl]-4-piperidone ethylene
CAS Registry Number 123169-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27ClN2O5S
InChI InChI=1S/C25H27ClN2O5S/c1-2-19-17-27(24(29)16-26)23(15-25(19)32-12-13-33-25)22-14-18-8-6-7-11-21(18)28(22)34(30,31)20-9-4-3-5-10-20/h3-11,14,19,23H,2,12-13,15-17H2,1H3/t19-,23-/m1/s1
InChIKey CFOAOVOILUWUOX-AUSIDOKSSA-N
Molecular Weight 503.013 g/mol
SMILES c1(S([n]2c([C@@]3(N(C[C@](C4(C3)OCCO4)(CC)[H])C(=O)CCl)[H])cc3c2cccc3)(=O)=O)ccccc1
SPLASH splash10-004i-1900000000-740feb438ed534f33466
Source of Spectrum J-54-5596-17
Wiley ID 1399158