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3H-[1]Benzopyrano[4,3-c]isoxazole-1(4H)-propanoic acid, 3a,9b-dihydro-, methyl ester, cis-
SpectraBase Compound ID HUGQQq4x4g6
InChI InChI=1S/C14H17NO4/c1-17-13(16)6-7-15-14-10(9-19-15)8-18-12-5-3-2-4-11(12)14/h2-5,10,14H,6-9H2,1H3/t10-,14+/m0/s1
InChIKey AGSLLOMBRFCBFS-IINYFYTJSA-N
Mol Weight 263.29 g/mol
Molecular Formula C14H17NO4
Exact Mass 263.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlBVuy3eRWS
Name 3H-[1]Benzopyrano[4,3-c]isoxazole-1(4H)-propanoic acid, 3a,9b-dihydro-, methyl ester, cis-
CAS Registry Number 89903-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO4
InChI InChI=1S/C14H17NO4/c1-17-13(16)6-7-15-14-10(9-19-15)8-18-12-5-3-2-4-11(12)14/h2-5,10,14H,6-9H2,1H3/t10-,14+/m0/s1
InChIKey AGSLLOMBRFCBFS-IINYFYTJSA-N
Molecular Weight 263.293 g/mol
SMILES [C@]12(N(OC[C@@]1(COc1c2cccc1)[H])CCC(=O)OC)[H]
SPLASH splash10-0002-0920000000-ab426200080ac219198d
Source of Spectrum KC-1984-55-0
Synonyms 1-(2-Methoxycarbonylethyl)-1,3a,4,9b-tetrahydro-3H-isoxazolo[3,4-d]benzo[b]pyran Methyl 3-((3aS,9bR)-3a,9b-dihydro-3H-chromeno[4,3-c]isoxazol-1(4H)-yl)propanoate
Wiley ID 1266844