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(1R,2S)-1-hex-1-ynyl-2-propoxy-cycloheptane
SpectraBase Compound ID FhHHai9MHKL
InChI InChI=1S/C16H28O/c1-3-5-6-8-11-15-12-9-7-10-13-16(15)17-14-4-2/h15-16H,3-7,9-10,12-14H2,1-2H3/t15-,16-/m0/s1
InChIKey JDVXLYJEEMLNRP-HOTGVXAUSA-N
Mol Weight 236.4 g/mol
Molecular Formula C16H28O
Exact Mass 236.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jtn8ntnoV7U
Name (1R,2S)-1-hex-1-ynyl-2-propoxy-cycloheptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O
InChI InChI=1S/C16H28O/c1-3-5-6-8-11-15-12-9-7-10-13-16(15)17-14-4-2/h15-16H,3-7,9-10,12-14H2,1-2H3/t15-,16-/m0/s1
InChIKey JDVXLYJEEMLNRP-HOTGVXAUSA-N
Molecular Weight 236.399 g/mol
SMILES C(#CCCCC)[C@@]1([C@@](OCCC)(CCCCC1)[H])[H]
SPLASH splash10-002f-0910000000-9455098d55468cc0f18d
Source of Spectrum F-55-10129-9
Wiley ID 838886