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trans-2-(2'-phenylsulfonylethyl)-4,4,8-trimethyl-2-aza-3-oxabicyclo[4.3.0]nonanene

View entire compound with spectra: 1 MS (GC)

trans-2-(2'-phenylsulfonylethyl)-4,4,8-trimethyl-2-aza-3-oxabicyclo[4.3.0]nonanene
SpectraBase Compound ID L503sb0c2xN
InChI InChI=1S/C18H27NO3S/c1-14-11-15-13-18(2,3)22-19(17(15)12-14)9-10-23(20,21)16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3/t14?,15-,17+/m1/s1
InChIKey OBVUTRJOSHLJSZ-LBVBGPOBSA-N
Mol Weight 337.48 g/mol
Molecular Formula C18H27NO3S
Exact Mass 337.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pJT3fqoYHW
Name trans-2-(2'-phenylsulfonylethyl)-4,4,8-trimethyl-2-aza-3-oxabicyclo[4.3.0]nonanene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO3S
InChI InChI=1S/C18H27NO3S/c1-14-11-15-13-18(2,3)22-19(17(15)12-14)9-10-23(20,21)16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3/t14?,15-,17+/m1/s1
InChIKey OBVUTRJOSHLJSZ-LBVBGPOBSA-N
Molecular Weight 337.478 g/mol
SMILES C(S(=O)(=O)c1ccccc1)CN1[C@@]2([C@@](CC(C2)C)([H])CC(O1)(C)C)[H]
SPLASH splash10-001r-0925000000-bae0e9755aac1a1af7fc
Source of Spectrum F-47-4515-30
Synonyms (4aR,7aS)-3,3,6-trimethyl-1-[2-(phenylsulfonyl)ethyl]octahydrocyclopenta[c][1,2]oxazine 2-((4aR,7aS)-3,3,6-trimethylhexahydrocyclopenta[c][1,2]oxazin-1(3H)-yl)ethyl phenyl sulfone
Wiley ID 1333072