For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
tert-Butyl trans-1,6-dioxo-2-methyl-4a-phenyldecahydroisoquinoline-7-carboxylate
SpectraBase Compound ID 7qEeg64owCF
InChI InChI=1S/C21H27NO4/c1-20(2,3)26-19(25)15-12-16-18(24)22(4)11-10-21(16,13-17(15)23)14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3/t15?,16-,21+/m1/s1
InChIKey QBVALIPONQLDLA-BRTDBVSSSA-N
Mol Weight 357.45 g/mol
Molecular Formula C21H27NO4
Exact Mass 357.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Iee7AlNT6dW
Name tert-Butyl trans-1,6-dioxo-2-methyl-4a-phenyldecahydroisoquinoline-7-carboxylate
Alternate Name(s) tert-Butyl (4aR,8aS)-2-methyl-1,6-dioxo-4a-phenyldecahydro-7-isoquinolinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO4
InChI InChI=1S/C21H27NO4/c1-20(2,3)26-19(25)15-12-16-18(24)22(4)11-10-21(16,13-17(15)23)14-8-6-5-7-9-14/h5-9,15-16H,10-13H2,1-4H3/t15?,16-,21+/m1/s1
InChIKey QBVALIPONQLDLA-BRTDBVSSSA-N
Molecular Weight 357.450 g/mol
SMILES [C@]12([C@@](C(=O)N(CC2)C)(CC(C(C1)=O)C(OC(C)(C)C)=O)[H])c1ccccc1
SPLASH splash10-0a4i-9073000000-2dec61c18314ba84c3e7
Source of Spectrum C-98-6656-0
Wiley ID 1346543