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cis-1,3,3a,9b-Tetrahydronaphtho[1,2-c]furan-5(4H)-one
SpectraBase Compound ID KBGyjgcLLLX
InChI InChI=1S/C12H12O2/c13-12-5-8-6-14-7-11(8)9-3-1-2-4-10(9)12/h1-4,8,11H,5-7H2/t8-,11+/m1/s1
InChIKey AJDWDZSHNOJBMU-KCJUWKMLSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AX3AuCuf1Bd
Name cis-1,3,3A,9B-Tetrahydronaphtho[1,2-C]furan-5(4H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.083729624 u
Formula C12H12O2
InChI InChI=1S/C12H12O2/c13-12-5-8-6-14-7-11(8)9-3-1-2-4-10(9)12/h1-4,8,11H,5-7H2/t8-,11+/m1/s1
InChIKey AJDWDZSHNOJBMU-KCJUWKMLSA-N
Molecular Weight 188.226 g/mol
SMILES C12=C(C(=O)C[C@]3([C@@]2(COC3)[H])[H])C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865514