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Methyl (2R*,2aR*,6aR*)-9-Butoxyoctahydro-1,10-dioxa-10a-azacyclohex[c]indene-2-cerboxylate
SpectraBase Compound ID 3lN15mJppGC
InChI InChI=1S/C16H27NO5/c1-3-4-11-20-13-8-10-16-9-6-5-7-12(16)14(15(18)19-2)22-17(16)21-13/h12-14H,3-11H2,1-2H3/t12-,13?,14+,16+/m0/s1
InChIKey DVCYSKZAMFBFPB-LKJGZXFDSA-N
Mol Weight 313.39 g/mol
Molecular Formula C16H27NO5
Exact Mass 313.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iPQKQGZ2Io
Name Methyl (2R*,2aR*,6aR*)-9-Butoxyoctahydro-1,10-dioxa-10a-azacyclohex[c]indene-2-cerboxylate
Alternate Name(s) Methyl (2R*,2aR*,6aR*)-9-Butoxyoctahydro-1,10-dioxa-10a-azacyclohex[c]indene-2-carboxylate methyl (7R,7aR,11aR)-3-butoxyoctahydro-1H-[1,2]oxazino[3,2-i][2,1]benzisoxazole-7-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27NO5
InChI InChI=1S/C16H27NO5/c1-3-4-11-20-13-8-10-16-9-6-5-7-12(16)14(15(18)19-2)22-17(16)21-13/h12-14H,3-11H2,1-2H3/t12-,13?,14+,16+/m0/s1
InChIKey DVCYSKZAMFBFPB-LKJGZXFDSA-N
Molecular Weight 313.394 g/mol
SMILES [C@@]1(ON2[C@@]3([C@]1(CCCC3)[H])CCC(O2)OCCCC)(C(=O)OC)[H]
SPLASH splash10-00di-0930000000-21c7d895d2257bd31d71
Source of Spectrum J-63-1615-20
Wiley ID 1314199