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1,7-Dioxa-7a-azacyclopent[cd]indene-2-carboxylic acid, octahydro-5,5,6,6,7b-pentamethyl-, ethyl ester, (2.alpha.,2a.alpha.,4a.alpha.,7b.alpha.)-(.+-.)-
SpectraBase Compound ID 7Rg3nFvg6ZO
InChI InChI=1S/C16H27NO4/c1-7-19-13(18)12-10-8-9-11-14(2,3)15(4,5)21-17(20-12)16(10,11)6/h10-12H,7-9H2,1-6H3/t10-,11+,12+,16+/m0/s1
InChIKey ZUIWBKPLTOJYNY-XSUJLISDSA-N
Mol Weight 297.4 g/mol
Molecular Formula C16H27NO4
Exact Mass 297.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yvGnuteDI
Name 1,7-Dioxa-7a-azacyclopent[cd]indene-2-carboxylic acid, octahydro-5,5,6,6,7b-pentamethyl-, ethyl ester, (2.alpha.,2a.alpha.,4a.alpha.,7b.alpha.)-(.+-.)-
CAS Registry Number 124126-01-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27NO4
InChI InChI=1S/C16H27NO4/c1-7-19-13(18)12-10-8-9-11-14(2,3)15(4,5)21-17(20-12)16(10,11)6/h10-12H,7-9H2,1-6H3/t10-,11+,12+,16+/m0/s1
InChIKey ZUIWBKPLTOJYNY-XSUJLISDSA-N
Molecular Weight 297.395 g/mol
SMILES [C@@]12(N3OC(C([C@]1(CC[C@@]2([H])[C@@](O3)(C(=O)OCC)[H])[H])(C)C)(C)C)C
SPLASH splash10-052f-9130000000-58061d945693d3617e85
Source of Spectrum C-112-313-4
Synonyms Ethyl (2R,2aR,4aR,7bS)-5,5,6,6,7b-pentamethyloctahydro-1,7-dioxa-7a-azacyclopenta[cd]indene-2-carboxylate Ethyl rel-(1R,3S,6aR,8aR,8bS)-5,5,6,6,8b-pentamethyl-6a,7,8,8a-tetrahydrocyclopenta[1,2,3-hj]isooxazolo[2,3-b][1,2]oxazine-1-carboxylate
Wiley ID 1300103