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6-Oxa-1-azabicyclo[5.2.0]non-2-ene-2-carboxylic acid, 3-methoxy-9-oxo-, phenylmethyl ester
SpectraBase Compound ID 3x8RjuCIN3
InChI InChI=1S/C16H17NO5/c1-20-12-7-8-21-14-9-13(18)17(14)15(12)16(19)22-10-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKey HELGSWXJAFOUKF-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mi5mTNmADQ
Name 6-Oxa-1-azabicyclo[5.2.0]non-2-ene-2-carboxylic acid, 3-methoxy-9-oxo-, phenylmethyl ester
Alternate Name(s) Benzyl 3-methoxy-9-oxo-6-oxa-1-azabicyclo[5.2.0]non-2-ene-2-carboxylate
CAS Registry Number 85800-91-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-20-12-7-8-21-14-9-13(18)17(14)15(12)16(19)22-10-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKey HELGSWXJAFOUKF-UHFFFAOYSA-N
Molecular Weight 303.314 g/mol
SMILES C=1(N2C(OCCC1OC)CC2=O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9101000000-8574f1d22aaef576e511
Source of Spectrum KC-1983-118-0
Wiley ID 1305553