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(1S,3S,4R)-Methyl 3-[[(o-Nitrophenyl)seleno]methyl-1,4,4-trimethylcyclopentanecarboxylate
SpectraBase Compound ID Aqunqso8GoL
InChI InChI=1S/C17H23NO4Se/c1-16(2)11-17(3,15(19)22-4)9-12(16)10-23-14-8-6-5-7-13(14)18(20)21/h5-8,12H,9-11H2,1-4H3/t12-,17+/m1/s1
InChIKey AHLNEVDYJYYCKK-PXAZEXFGSA-N
Mol Weight 384.35 g/mol
Molecular Formula C17H23NO4Se
Exact Mass 385.07923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1ighGIkHwd
Name (1S,3S,4R)-Methyl 3-[[(o-Nitrophenyl)seleno]methyl-1,4,4-trimethylcyclopentanecarboxylate
Alternate Name(s) Methyl (1S,4S)-1,3,3-trimethyl-4-{[(2-nitrophenyl)selanyl]methyl}cyclopentanecarboxylate
CAS Registry Number 127308-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO4Se
InChI InChI=1S/C17H23NO4Se/c1-16(2)11-17(3,15(19)22-4)9-12(16)10-23-14-8-6-5-7-13(14)18(20)21/h5-8,12H,9-11H2,1-4H3/t12-,17+/m1/s1
InChIKey AHLNEVDYJYYCKK-PXAZEXFGSA-N
Molecular Weight 384.346 g/mol
SMILES c1(N(=O)=O)c([Se]C[C@@]2(C(C[C@](C2)(C(=O)OC)C)(C)C)[H])cccc1
SPLASH splash10-00di-0900000000-455c63fb7f47e737ef0a
Source of Spectrum J-55-4057-12
Wiley ID 1362104