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

*Links on SpectraBase are not permalinks.
(3aR,7aR)-3-(2,2-Dimethoxyethyl)-7a-(3,4-methylenedioxyphenyl)-3a,4,7,7a-tetrahydrobenzooxazol-2-one
SpectraBase Compound ID Cs6b8N9rF7S
InChI InChI=1S/C18H21NO6/c1-21-16(22-2)10-19-15-5-3-4-8-18(15,25-17(19)20)12-6-7-13-14(9-12)24-11-23-13/h3-4,6-7,9,15-16H,5,8,10-11H2,1-2H3/t15-,18-/m1/s1
InChIKey NELYHXXJQMRNDW-CRAIPNDOSA-N
Mol Weight 347.37 g/mol
Molecular Formula C18H21NO6
Exact Mass 347.136887 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 KnMLK7lj3On
Name (3aR,7aR)-3-(2,2-Dimethoxyethyl)-7a-(3,4-methylenedioxyphenyl)-3a,4,7,7a-tetrahydrobenzooxazol-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO6
InChI InChI=1S/C18H21NO6/c1-21-16(22-2)10-19-15-5-3-4-8-18(15,25-17(19)20)12-6-7-13-14(9-12)24-11-23-13/h3-4,6-7,9,15-16H,5,8,10-11H2,1-2H3/t15-,18-/m1/s1
InChIKey NELYHXXJQMRNDW-CRAIPNDOSA-N
Literature Reference DOI 10.1002/adsc.200404102
Molecular Weight 347.367 g/mol
SMILES C1(N([C@]2([C@@](O1)(CC=CC2)c1cc2OCOc2cc1)[H])CC(OC)OC)=O
SPLASH splash10-004i-9000000000-430fa7cdecbcb70c37a6
Source of Spectrum ASC-346-1351-32
Synonyms (3aR,7aR)-7a-(benzo[d][1,3]dioxol-5-yl)-3-(2,2-dimethoxyethyl)-3a,4,7,7a-tetrahydrobenzo[d]oxazol-2(3H)-one
Wiley ID 1767495