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1-[1-(Benzylsulfanyl)pentan-2-yloxymethyl]azepane

View entire compound with spectra: 1 MS (GC)

1-[1-(Benzylsulfanyl)pentan-2-yloxymethyl]azepane
SpectraBase Compound ID AbJJk9w4GNo
InChI InChI=1S/C19H31NOS/c1-18(21-17-20-13-7-2-3-8-14-20)10-9-15-22-16-19-11-5-4-6-12-19/h4-6,11-12,18H,2-3,7-10,13-17H2,1H3
InChIKey WBIKDJFYSWKUOO-UHFFFAOYSA-N
Mol Weight 321.52 g/mol
Molecular Formula C19H31NOS
Exact Mass 321.212636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dx1Luw1zlwh
Name 1-[1-(Benzylsulfanyl)pentan-2-yloxymethyl]azepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NOS
InChI InChI=1S/C19H31NOS/c1-18(21-17-20-13-7-2-3-8-14-20)10-9-15-22-16-19-11-5-4-6-12-19/h4-6,11-12,18H,2-3,7-10,13-17H2,1H3
InChIKey WBIKDJFYSWKUOO-UHFFFAOYSA-N
Molecular Weight 321.523 g/mol
SMILES C(N1CCCCCC1)OC(CCCSCc1ccccc1)C
SPLASH splash10-0006-9210000000-9cdf3df52b52d02fb40a
Source of Spectrum O1-47-843-5e
Wiley ID 1669507