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1H-Indene-5-carboxaldehyde, 3,7-dimethyl-
SpectraBase Compound ID 1MsMCHIzPER
InChI InChI=1S/C12H12O/c1-8-3-4-11-9(2)5-10(7-13)6-12(8)11/h3,5-7H,4H2,1-2H3
InChIKey VBNXDDUHORPWSM-UHFFFAOYSA-N
Mol Weight 172.23 g/mol
Molecular Formula C12H12O
Exact Mass 172.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WHIVIq0grv
Name 1H-Indene-5-carboxaldehyde, 3,7-dimethyl-
Alternate Name(s) 3,7-dimethyl-1H-indene-5-carbaldehyde 3,7-Dimethylindene-5-carboxaldehyde
CAS Registry Number 85337-24-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O
InChI InChI=1S/C12H12O/c1-8-3-4-11-9(2)5-10(7-13)6-12(8)11/h3,5-7H,4H2,1-2H3
InChIKey VBNXDDUHORPWSM-UHFFFAOYSA-N
Molecular Weight 172.227 g/mol
SMILES c12c(c(C)cc(c2)C=O)CC=C1C
SPLASH splash10-004i-0900000000-21eb0b9a99bd84fa4349
Source of Spectrum C-105-4058-0
Wiley ID 1169393