For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Benzopyrano[4,3-b]pyrrole-2,3-dicarboxylic acid, 1,2,3,3a,4,9b-hexahydro-2-methyl-, dimethyl ester, [2R-(2.alpha.,3.alpha.,3a.alpha.,9b.beta.)]-
SpectraBase Compound ID GD5MEP8ZqzO
InChI InChI=1S/C16H19NO5/c1-16(15(19)21-3)12(14(18)20-2)10-8-22-11-7-5-4-6-9(11)13(10)17-16/h4-7,10,12-13,17H,8H2,1-3H3/t10-,12+,13+,16-/m1/s1
InChIKey YVASBDLZRDFFOP-QOFRNUMZSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8A5x1Oz97dT
Name Benzopyrano[4,3-b]pyrrole-2,3-dicarboxylic acid, 1,2,3,3a,4,9b-hexahydro-2-methyl-, dimethyl ester, [2R-(2.alpha.,3.alpha.,3a.alpha.,9b.beta.)]-
CAS Registry Number 117316-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-16(15(19)21-3)12(14(18)20-2)10-8-22-11-7-5-4-6-9(11)13(10)17-16/h4-7,10,12-13,17H,8H2,1-3H3/t10-,12+,13+,16-/m1/s1
InChIKey YVASBDLZRDFFOP-QOFRNUMZSA-N
Molecular Weight 305.330 g/mol
SMILES N1[C@]2(c3c(OC[C@@]2([C@]([C@@]1(C(=O)OC)C)(C(=O)OC)[H])[H])cccc3)[H]
SPLASH splash10-0002-4792000000-d0290c04f5251bb5f136
Source of Spectrum F-44-570-34
Synonyms 2,3-bis(methoxycarbonyl)-2-methyl-4H-2,3,3a,9b-tetrahydopyrrolo[2,3-d]benzo[b]pyran Dimethyl (2R,3R,3aR,9bR)-2-methyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole-2,3-dicarboxylate
Wiley ID 1307271