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

*Links on SpectraBase are not permalinks.
3-(2-Thienyl)isochroman-1-one
SpectraBase Compound ID Bm94RavddrV
InChI InChI=1S/C13H10O2S/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-7,11H,8H2
InChIKey XFYAUOYQRDKBLZ-UHFFFAOYSA-N
Mol Weight 230.28 g/mol
Molecular Formula C13H10O2S
Exact Mass 230.040151 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 SeEc23qK1L
Name 3-(2-Thienyl)isochroman-1-one
CAS Registry Number 59417-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10O2S
InChI InChI=1S/C13H10O2S/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-7,11H,8H2
InChIKey XFYAUOYQRDKBLZ-UHFFFAOYSA-N
Molecular Weight 230.281 g/mol
SMILES C1(OC(c2sccc2)Cc2c1cccc2)=O
SPLASH splash10-014i-1920000000-458f711ec2a588858eba
Source of Spectrum B-35-1234-0
Synonyms 3-Thiophen-2-yl-3,4-dihydro-1H-2-benzopyran-1-one 3-Thiophen-2-yl-3,4-dihydroisochromen-1-one
Wiley ID 1231745