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5H-1,3-Dioxolo[4,5-c]pyrrole-5-carboxylic acid, 4-(4-bromobutyl)tetrahydro-2,2-dimethyl-, methyl ester, (3a.alpha.,4.alpha.,6a.alpha.)-
SpectraBase Compound ID 3HqUCMD76Md
InChI InChI=1S/C13H22BrNO4/c1-13(2)18-10-8-15(12(16)17-3)9(11(10)19-13)6-4-5-7-14/h9-11H,4-8H2,1-3H3/t9-,10+,11-/m0/s1
InChIKey FQNFMKZJBOVGGB-AXFHLTTASA-N
Mol Weight 336.23 g/mol
Molecular Formula C13H22BrNO4
Exact Mass 335.073221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HixYyhC9Bq
Name 5H-1,3-Dioxolo[4,5-c]pyrrole-5-carboxylic acid, 4-(4-bromobutyl)tetrahydro-2,2-dimethyl-, methyl ester, (3a.alpha.,4.alpha.,6a.alpha.)-
CAS Registry Number 108796-05-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22BrNO4
InChI InChI=1S/C13H22BrNO4/c1-13(2)18-10-8-15(12(16)17-3)9(11(10)19-13)6-4-5-7-14/h9-11H,4-8H2,1-3H3/t9-,10+,11-/m0/s1
InChIKey FQNFMKZJBOVGGB-AXFHLTTASA-N
Molecular Weight 336.226 g/mol
SMILES [C@@]1(N(C[C@]2(OC(O[C@@]12[H])(C)C)[H])C(=O)OC)(CCCCBr)[H]
SPLASH splash10-052r-0269000000-87ef0a73bc36445f86fb
Source of Spectrum J-52-3098-14
Synonyms 1-Aza-1-methoxycarbonyl-2-(4-bromo-butyl)-3,4-dimethylmethylenedioxy-cyclopentane Methyl (3aS,4S,6aR)-4-(4-bromobutyl)-2,2-dimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
Wiley ID 1331512