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Benzyl (3aS,4S,7aS)-5,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydroisobenzofuran-4-ylcarbamate

View entire compound with spectra: 1 MS (GC)

Benzyl (3aS,4S,7aS)-5,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydroisobenzofuran-4-ylcarbamate
SpectraBase Compound ID 6vU9qBN0a9e
InChI InChI=1S/C18H19NO5/c1-10-8-11(2)15(14-13(10)16(20)24-17(14)21)19-18(22)23-9-12-6-4-3-5-7-12/h3-8,10,13-15H,9H2,1-2H3,(H,19,22)/t10?,13-,14-,15+/m0/s1
InChIKey VGMBHHLOTFKZRR-WFWKANEESA-N
Mol Weight 329.35 g/mol
Molecular Formula C18H19NO5
Exact Mass 329.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlADgdax2LM
Name Benzyl (3aS,4S,7aS)-5,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydroisobenzofuran-4-ylcarbamate
Alternate Name(s) Benzyl ((3aS,4S,7aS)-5,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydroisobenzofuran-4-yl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO5
InChI InChI=1S/C18H19NO5/c1-10-8-11(2)15(14-13(10)16(20)24-17(14)21)19-18(22)23-9-12-6-4-3-5-7-12/h3-8,10,13-15H,9H2,1-2H3,(H,19,22)/t10?,13-,14-,15+/m0/s1
InChIKey VGMBHHLOTFKZRR-WFWKANEESA-N
Literature Reference DOI 10.1002/adsc.200404056
Molecular Weight 329.352 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1([C@@]2([H])C(OC([C@@]2([H])C(C)C=C1C)=O)=O)[H]
SPLASH splash10-0006-9500000000-f06efcbc742d4e270c80
Source of Spectrum ASC-346-977-1l
Wiley ID 1767648