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Syn-Methyl spirocyclohexan-1',6-hexahydro-3-oxo-2-tosyl-1H-pyrrolo-[1,2-e]imidazole-1-carboxylate
SpectraBase Compound ID GClxZnQy2AR
InChI InChI=1S/C20H26N2O5S/c1-14-6-8-15(9-7-14)28(25,26)22-17(18(23)27-2)16-12-20(10-4-3-5-11-20)13-21(16)19(22)24/h6-9,16-17H,3-5,10-13H2,1-2H3/t16-,17-/m0/s1
InChIKey MJKTUYRURKXMQP-IRXDYDNUSA-N
Mol Weight 406.5 g/mol
Molecular Formula C20H26N2O5S
Exact Mass 406.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2A29K2vxnU
Name Syn-Methyl spirocyclohexan-1',6-hexahydro-3-oxo-2-tosyl-1H-pyrrolo-[1,2-e]imidazole-1-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2O5S
InChI InChI=1S/C20H26N2O5S/c1-14-6-8-15(9-7-14)28(25,26)22-17(18(23)27-2)16-12-20(10-4-3-5-11-20)13-21(16)19(22)24/h6-9,16-17H,3-5,10-13H2,1-2H3/t16-,17-/m0/s1
InChIKey MJKTUYRURKXMQP-IRXDYDNUSA-N
Literature Reference DOI 10.1002/asia.200800148
Molecular Weight 406.497 g/mol
SMILES C12(CCCCC2)CN2C(=O)N(S(c3ccc(cc3)C)(=O)=O)[C@](C(OC)=O)([C@]2([H])C1)[H]
SPLASH splash10-000y-0095000000-953d780ba0fd066ad1bf
Source of Spectrum CAJ-3-1253-3b
Synonyms (1'S,7a'S)-methyl 3'-oxo-2'-tosylhexahydrospiro[cyclohexane-1,6'-pyrrolo[1,2-c]imidazole]-1'-carboxylate
Wiley ID 1775062