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1H-Pyrrolo[2,1-c][1,4]benzoxazine-4-carboxylic acid, 2,3,3a,4-tetrahydro-8-hydroxy-7-methoxy-6-methyl-, ethyl ester
SpectraBase Compound ID 9cwrXHge4w4
InChI InChI=1S/C16H21NO5/c1-4-21-16(19)15-10-6-5-7-17(10)11-8-12(18)14(20-3)9(2)13(11)22-15/h8,10,15,18H,4-7H2,1-3H3
InChIKey JYOYNQNHPRTGMJ-UHFFFAOYSA-N
Mol Weight 307.35 g/mol
Molecular Formula C16H21NO5
Exact Mass 307.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Blp7gdWBISQ
Name 1H-Pyrrolo[2,1-c][1,4]benzoxazine-4-carboxylic acid, 2,3,3a,4-tetrahydro-8-hydroxy-7-methoxy-6-methyl-, ethyl ester
CAS Registry Number 85083-32-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO5
InChI InChI=1S/C16H21NO5/c1-4-21-16(19)15-10-6-5-7-17(10)11-8-12(18)14(20-3)9(2)13(11)22-15/h8,10,15,18H,4-7H2,1-3H3
InChIKey JYOYNQNHPRTGMJ-UHFFFAOYSA-N
Molecular Weight 307.346 g/mol
SMILES Oc1c(OC)c(c2c(N3C(C(C(=O)OCC)O2)CCC3)c1)C
SPLASH splash10-0006-0093000000-f0cc9b6408b2226e85ac
Source of Spectrum C-105-2863-0
Synonyms 4-(ethoxycarbonyl)-8-hydroxy-7-methoxy-6-methyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,1-c][1,4]benzoxazine Ethyl 8-hydroxy-7-methoxy-6-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzoxazine-4-carboxylate
Wiley ID 1308912