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(3R)-3-Allyl-(N-tert-butyloxycarbonyl)-6,7-methylenedioxy-1,2,3,4-tetrahydro-4-isoquinolone
SpectraBase Compound ID H76dnbOBxtV
InChI InChI=1S/C18H21NO5/c1-5-6-13-16(20)12-8-15-14(22-10-23-15)7-11(12)9-19(13)17(21)24-18(2,3)4/h5,7-8,13H,1,6,9-10H2,2-4H3/t13-/m1/s1
InChIKey MCBOLTASKHGRLU-CYBMUJFWSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jwtf4C1Gh3v
Name (3R)-3-Allyl-(N-tert-butyloxycarbonyl)-6,7-methylenedioxy-1,2,3,4-tetrahydro-4-isoquinolone
Alternate Name(s) (R)-tert-butyl 7-allyl-8-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-6(5H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-5-6-13-16(20)12-8-15-14(22-10-23-15)7-11(12)9-19(13)17(21)24-18(2,3)4/h5,7-8,13H,1,6,9-10H2,2-4H3/t13-/m1/s1
InChIKey MCBOLTASKHGRLU-CYBMUJFWSA-N
Literature Reference DOI 10.1002/adsc.200404102
Molecular Weight 331.368 g/mol
SMILES [C@@]1(CC=C)(N(Cc2c(C1=O)cc1OCOc1c2)C(=O)OC(C)(C)C)[H]
SPLASH splash10-0a4l-9530000000-f001044d09a8708db82e
Source of Spectrum ASC-346-1347-20
Wiley ID 1767487