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Isopropyl (2R(*),3S(*),3aS(*),9bR(*))-3-Methoxycarbonyl-1-methyl-1,2,3,3a,4,9b-hexahydro[1]benzopyrano[4,3-b]pyrrole-2-carboxylate
SpectraBase Compound ID 3rlAEtwa4R2
InChI InChI=1S/C18H23NO5/c1-10(2)24-18(21)16-14(17(20)22-4)12-9-23-13-8-6-5-7-11(13)15(12)19(16)3/h5-8,10,12,14-16H,9H2,1-4H3/t12-,14-,15-,16+/m0/s1
InChIKey BLVHIIKKMRFLER-QCEMKRCNSA-N
Mol Weight 333.38 g/mol
Molecular Formula C18H23NO5
Exact Mass 333.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaXmB9ElrAc
Name Isopropyl (2R(*),3S(*),3aS(*),9bR(*))-3-Methoxycarbonyl-1-methyl-1,2,3,3a,4,9b-hexahydro[1]benzopyrano[4,3-b]pyrrole-2-carboxylate
Alternate Name(s) 2-isopropyl 3-methyl (2R,3S,3aS,9bR)-1-methyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole-2,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO5
InChI InChI=1S/C18H23NO5/c1-10(2)24-18(21)16-14(17(20)22-4)12-9-23-13-8-6-5-7-11(13)15(12)19(16)3/h5-8,10,12,14-16H,9H2,1-4H3/t12-,14-,15-,16+/m0/s1
InChIKey BLVHIIKKMRFLER-QCEMKRCNSA-N
Molecular Weight 333.384 g/mol
SMILES [C@@]1([C@@](N(C)[C@@]2([C@]1(COc1ccccc21)[H])[H])(C(OC(C)C)=O)[H])(C(=O)OC)[H]
SPLASH splash10-0012-6490000000-1d5d42d7a1b18963fb02
Source of Spectrum AJ-62-1967-13
Wiley ID 1330227