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7-(1'-Methoxyethynyl)-7-methoxy-5-thia-8-oxa-7,8-dihydrophenanthrene

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

7-(1'-Methoxyethynyl)-7-methoxy-5-thia-8-oxa-7,8-dihydrophenanthrene
SpectraBase Compound ID GQ8aiHfMyVK
InChI InChI=1S/C16H16O3S/c1-11(17-2)16(18-3)10-20-15-13-7-5-4-6-12(13)8-9-14(15)19-16/h4-9H,1,10H2,2-3H3
InChIKey ZNORPSRSVHKCKT-UHFFFAOYSA-N
Mol Weight 288.36 g/mol
Molecular Formula C16H16O3S
Exact Mass 288.082016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6tltF35S6GB
Name 7-(1'-Methoxyethynyl)-7-methoxy-5-thia-8-oxa-7,8-dihydrophenanthrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.082015546 u
Formula C16H16O3S
InChI InChI=1S/C16H16O3S/c1-11(17-2)16(18-3)10-20-15-13-7-5-4-6-12(13)8-9-14(15)19-16/h4-9H,1,10H2,2-3H3
InChIKey ZNORPSRSVHKCKT-UHFFFAOYSA-N
SMILES C1(OC2=CC=C3C(=C2SC1)C=CC=C3)(C(=C)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961189