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

*Links on SpectraBase are not permalinks.

(3R,5R,6R,7aR)-3-(benzo[d][1,3]dioxol-5-yl)-6-methoxy-5-(methoxymethoxy)-2,3,5,6,7,7a-hexahydro-1H-indole-1-carbonyl chloride

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(3R,5R,6R,7aR)-3-(benzo[d][1,3]dioxol-5-yl)-6-methoxy-5-(methoxymethoxy)-2,3,5,6,7,7a-hexahydro-1H-indole-1-carbonyl chloride
SpectraBase Compound ID 631LUYXpRTH
InChI InChI=1S/C19H22ClNO6/c1-23-9-25-18-6-12-13(11-3-4-15-17(5-11)27-10-26-15)8-21(19(20)22)14(12)7-16(18)24-2/h3-6,13-14,16,18H,7-10H2,1-2H3/t13-,14-,16-,18-/m1/s1
InChIKey DVCURVMFOALTDI-GZOSKZMVSA-N
Mol Weight 395.84 g/mol
Molecular Formula C19H22ClNO6
Exact Mass 395.113565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8ljZQUb5c8O
Name (3R,5R,6R,7ar)-3-(Benzo[D][1,3]dioxol-5-yl)-6-methoxy-5-(methoxymethoxy)-2,3,5,6,7,7A-hexahydro-1H-indole-1-carbonyl chloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.113565126 u
Formula C19H22ClNO6
InChI InChI=1S/C19H22ClNO6/c1-23-9-25-18-6-12-13(11-3-4-15-17(5-11)27-10-26-15)8-21(19(20)22)14(12)7-16(18)24-2/h3-6,13-14,16,18H,7-10H2,1-2H3/t13-,14-,16-,18-/m1/s1
InChIKey DVCURVMFOALTDI-GZOSKZMVSA-N
Molecular Weight 395.839 g/mol
SMILES C=1[C@]([C@@](C[C@]2(N(C[C@@](C12)(C1=CC2=C(C=C1)OCO2)[H])C(Cl)=O)[H])(OC)[H])(OCOC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929577