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trans-rel-(3S,5S)-2-(Alloxycarbonyl)-1-benzyl-5-chloro-5-methylhexahydro-3-pyrazolidinecarboxylic acid methyl ester
SpectraBase Compound ID 8x7LSxsdLiB
InChI InChI=1S/C18H23ClN2O4/c1-4-10-25-17(23)21-15(16(22)24-3)11-18(2,19)13-20(21)12-14-8-6-5-7-9-14/h4-9,15H,1,10-13H2,2-3H3/t15-,18-/m0/s1
InChIKey XYMAQPBFPZEEOM-YJBOKZPZSA-N
Mol Weight 366.85 g/mol
Molecular Formula C18H23ClN2O4
Exact Mass 366.134635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COpGTKn1MBm
Name trans-rel-(3S,5S)-2-(Alloxycarbonyl)-1-benzyl-5-chloro-5-methylhexahydro-3-pyrazolidinecarboxylic acid methyl ester
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Formula C18H23ClN2O4
InChI InChI=1S/C18H23ClN2O4/c1-4-10-25-17(23)21-15(16(22)24-3)11-18(2,19)13-20(21)12-14-8-6-5-7-9-14/h4-9,15H,1,10-13H2,2-3H3/t15-,18-/m0/s1
InChIKey XYMAQPBFPZEEOM-YJBOKZPZSA-N
Molecular Weight 366.845 g/mol
SMILES [C@]1(N(N(C[C@](C1)(Cl)C)Cc1ccccc1)C(=O)OCC=C)(C(=O)OC)[H]
SPLASH splash10-0006-9312000000-40f099510ab13c8eec00
Source of Spectrum F-49-8619-37
Synonyms 1-Allyl 6-methyl (4S,6S)-2-benzyl-4-chloro-4-methyltetrahydro-1,6(2H)-pyridazinedicarboxylate
Wiley ID 788308